#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aa4 s VAL 5 N 0.00 4.29 -0.29 4.08 1.01 -1.26 -4.80 120.40 123.44 1aa4 s VAL 5 Ca 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.75 1aa4 s VAL 5 Cb 0.00 -2.83 0.09 0.00 0.00 0.00 0.00 36.38 33.64 1aa4 s VAL 5 CO 0.00 0.57 0.03 -1.00 0.00 0.00 0.00 175.10 174.71 1aa4 s HIS 6 N -0.56 2.51 -0.23 5.22 3.76 -1.26 -5.06 115.29 119.67 1aa4 s HIS 6 Ca 0.09 -2.08 -0.13 0.00 -0.15 0.00 0.00 55.06 52.80 1aa4 s HIS 6 Cb -0.12 -2.00 -0.05 0.00 1.11 0.00 0.00 32.58 31.53 1aa4 s HIS 6 CO 0.02 -0.86 0.26 0.08 -0.85 0.00 0.00 174.74 173.39 1aa4 s VAL 7 N 1.35 5.29 0.13 -0.90 1.01 -1.26 0.12 120.40 126.14 1aa4 s VAL 7 Ca 0.05 0.39 -0.33 0.00 0.00 0.00 0.00 61.98 62.09 1aa4 s VAL 7 Cb -0.18 -3.59 -0.12 0.00 0.00 0.00 0.00 36.38 32.48 1aa4 s VAL 7 CO -0.13 0.30 1.72 0.00 0.00 0.00 0.00 175.10 176.99 1aa4 n ALA 8 N 4.43 1.87 -3.92 5.51 0.00 0.13 -4.87 120.51 123.65 1aa4 n ALA 8 Ca -0.12 0.38 -0.30 0.00 0.00 0.00 0.00 53.44 53.39 1aa4 n ALA 8 Cb 0.52 -2.48 -0.15 0.00 0.00 0.00 0.00 19.45 17.34 1aa4 n ALA 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1aa4 s SER 9 N 1.86 4.11 0.17 0.00 0.15 0.59 -4.73 113.70 115.86 1aa4 s SER 9 Ca 0.81 -1.49 -0.34 0.00 0.70 0.00 0.00 55.95 55.63 1aa4 s SER 9 Cb -0.59 -1.23 -0.14 0.00 -1.71 0.00 0.00 66.02 62.35 1aa4 s SER 9 CO 0.38 -0.30 1.53 0.52 1.20 0.00 0.00 173.24 176.57 1aa4 n VAL 10 N 4.60 0.16 -1.59 4.45 0.31 -1.26 -4.34 118.33 120.67 1aa4 n VAL 10 Ca -0.07 -0.04 -0.47 0.00 -0.01 0.00 0.00 64.34 63.75 1aa4 n VAL 10 Cb 0.43 -1.47 -0.03 0.00 -0.91 0.00 0.00 33.84 31.86 1aa4 n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1aa4 n GLU 11 N 3.11 1.28 -1.77 5.55 4.71 -1.26 -4.70 120.64 127.55 1aa4 n GLU 11 Ca 0.16 0.45 -0.42 0.00 -0.01 0.00 0.00 57.16 57.34 1aa4 n GLU 11 Cb 0.28 -1.93 -0.03 0.00 -1.01 0.00 0.00 31.44 28.75 1aa4 n GLU 11 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1aa4 s LYS 12 N -0.65 4.15 0.00 3.49 2.20 -1.26 -1.33 119.74 126.34 1aa4 s LYS 12 Ca 0.69 2.52 0.00 0.00 -0.36 0.00 0.00 55.97 58.83 1aa4 s LYS 12 Cb -0.80 -3.66 0.00 0.00 -1.51 0.00 0.00 37.83 31.87 1aa4 s LYS 12 CO 0.54 -0.83 0.00 0.41 -0.36 0.00 0.00 175.35 175.11 1aa4 n GLY 13 N 4.20 0.31 3.80 5.54 0.00 -1.26 -4.98 105.19 112.81 1aa4 n GLY 13 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1aa4 n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aa4 s ARG 14 N -0.83 3.91 0.00 1.61 1.81 -0.44 -5.07 118.95 119.93 1aa4 s ARG 14 Ca 0.00 1.28 0.00 0.00 -1.72 0.00 0.00 55.73 55.29 1aa4 s ARG 14 Cb 0.00 -2.12 0.00 0.00 -0.45 0.00 0.00 34.95 32.38 1aa4 s ARG 14 CO 0.00 -0.32 0.00 -1.13 -0.68 0.00 0.00 175.30 173.17 1aa4 n SER 15 N -0.91 0.21 -0.29 0.23 3.41 -1.26 -4.91 113.62 110.10 1aa4 n SER 15 Ca 0.09 -0.98 0.03 0.00 -0.26 0.00 0.00 58.87 57.75 1aa4 n SER 15 Cb 0.53 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.59 1aa4 n SER 15 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1aa4 h TYR 16 N 0.98 -0.42 -0.37 7.33 3.20 -2.00 -2.10 116.97 123.59 1aa4 h TYR 16 Ca 0.00 0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.95 1aa4 h TYR 16 Cb 0.00 0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 1aa4 h TYR 16 CO 0.00 -0.35 0.25 0.93 -1.64 0.00 0.00 178.16 177.34 1aa4 h GLU 17 N 0.00 0.48 -0.11 1.82 3.07 -1.99 -0.88 114.58 116.98 1aa4 h GLU 17 Ca 0.40 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.22 1aa4 h GLU 17 Cb 0.62 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.41 1aa4 h GLU 17 CO -0.85 0.32 0.03 -0.44 -1.40 0.00 0.00 179.01 176.67 1aa4 h ASP 18 N 0.49 0.16 -0.00 1.42 3.32 -1.78 -2.13 116.42 117.91 1aa4 h ASP 18 Ca 0.14 -0.21 -0.13 0.00 0.02 0.00 0.00 57.03 56.84 1aa4 h ASP 18 Cb -0.04 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1aa4 h ASP 18 CO -0.03 0.33 -0.43 -0.26 -1.72 0.00 0.00 179.24 177.13 1aa4 h PHE 19 N -0.01 0.63 -0.08 4.55 0.04 -1.49 -2.09 116.94 118.50 1aa4 h PHE 19 Ca 0.04 -0.19 -0.03 0.00 2.80 0.00 0.00 57.97 60.59 1aa4 h PHE 19 Cb 0.23 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 1aa4 h PHE 19 CO 0.00 0.87 -0.08 0.37 -0.60 0.00 0.00 178.31 178.87 1aa4 h GLN 20 N 0.43 0.11 -0.47 1.51 5.75 -1.10 0.85 115.11 122.19 1aa4 h GLN 20 Ca 0.03 -0.02 -0.11 0.00 -0.15 0.00 0.00 58.65 58.41 1aa4 h GLN 20 Cb 0.93 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.44 1aa4 h GLN 20 CO 0.08 0.20 -0.13 0.87 -2.65 0.00 0.00 178.83 177.20 1aa4 h LYS 21 N 0.11 0.93 -0.24 1.69 1.57 -0.71 -1.10 116.57 118.82 1aa4 h LYS 21 Ca 0.02 -0.36 -0.03 0.00 -1.87 0.00 0.00 60.65 58.41 1aa4 h LYS 21 Cb 0.22 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1aa4 h LYS 21 CO 0.01 1.02 0.04 0.28 -0.57 0.00 0.00 179.45 180.24 1aa4 h VAL 22 N 0.78 1.22 -0.33 0.50 2.07 -0.95 -1.60 116.25 117.95 1aa4 h VAL 22 Ca 0.12 -0.74 0.05 0.00 0.82 0.00 0.00 66.70 66.95 1aa4 h VAL 22 Cb 0.69 1.26 -0.08 0.00 -1.52 0.00 0.00 31.29 31.64 1aa4 h VAL 22 CO 0.05 0.23 -0.49 0.22 0.02 0.00 0.00 177.57 177.60 1aa4 h TYR 23 N 0.20 -1.47 -0.73 1.57 5.03 -0.77 -1.63 116.97 119.17 1aa4 h TYR 23 Ca 0.07 0.07 0.08 0.00 2.58 0.00 0.00 58.73 61.53 1aa4 h TYR 23 Cb 0.31 0.69 -0.05 0.00 1.55 0.00 0.00 36.73 39.23 1aa4 h TYR 23 CO 0.02 -0.48 0.48 -0.91 -1.32 0.00 0.00 178.16 175.94 1aa4 h ASN 24 N -0.42 0.61 -0.09 -2.11 -0.26 -1.15 0.45 115.58 112.61 1aa4 h ASN 24 Ca 0.09 0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.83 1aa4 h ASN 24 Cb 0.61 -0.12 -0.00 0.00 -1.06 0.00 0.00 38.32 37.75 1aa4 h ASN 24 CO -0.54 0.38 0.03 0.00 -1.06 0.00 0.00 177.43 176.24 1aa4 h ALA 25 N 1.62 0.12 -0.11 -0.83 0.00 -0.65 0.38 119.26 119.78 1aa4 h ALA 25 Ca 0.33 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1aa4 h ALA 25 Cb 0.37 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1aa4 h ALA 25 CO -0.11 -0.28 0.03 0.82 0.00 0.00 0.00 179.25 179.70 1aa4 h ILE 26 N -0.03 0.96 -0.73 0.00 2.04 -0.72 -2.23 117.51 116.80 1aa4 h ILE 26 Ca 0.03 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 65.88 1aa4 h ILE 26 Cb 0.19 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 1aa4 h ILE 26 CO -0.00 0.01 0.48 0.00 0.00 0.00 0.00 178.15 178.65 1aa4 h ALA 27 N 1.07 1.50 -0.31 1.87 0.00 -0.78 0.22 119.26 122.85 1aa4 h ALA 27 Ca 0.05 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1aa4 h ALA 27 Cb 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1aa4 h ALA 27 CO -0.06 0.45 -0.45 -0.07 0.00 0.00 0.00 179.25 179.13 1aa4 h LEU 28 N 0.96 0.85 -0.55 0.00 4.07 -0.83 -2.69 115.31 117.13 1aa4 h LEU 28 Ca 0.27 -0.41 -0.12 0.00 0.08 0.00 0.00 57.88 57.70 1aa4 h LEU 28 Cb -0.07 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.41 1aa4 h LEU 28 CO -0.07 1.17 -0.60 0.50 -1.08 0.00 0.00 178.44 178.37 1aa4 h LYS 29 N 0.63 0.00 -0.33 1.13 3.64 -0.74 -1.56 116.57 119.34 1aa4 h LYS 29 Ca 0.04 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1aa4 h LYS 29 Cb 1.02 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 1aa4 h LYS 29 CO 0.10 0.60 0.04 -0.07 -2.27 0.00 0.00 179.45 177.84 1aa4 h LEU 30 N 0.00 0.46 -0.11 5.20 3.38 -0.87 0.75 115.31 124.13 1aa4 h LEU 30 Ca -0.01 -0.07 -0.24 0.00 0.09 0.00 0.00 57.88 57.66 1aa4 h LEU 30 Cb 1.21 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.85 1aa4 h LEU 30 CO 0.08 0.50 -0.86 -0.09 0.09 0.00 0.00 178.44 178.16 1aa4 h ARG 31 N 0.49 0.78 0.17 1.13 2.43 -1.22 -3.38 114.38 114.77 1aa4 h ARG 31 Ca 0.11 -0.69 -0.01 0.00 -0.81 0.00 0.00 59.98 58.58 1aa4 h ARG 31 Cb 0.25 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1aa4 h ARG 31 CO 0.00 1.28 -0.08 1.49 -1.51 0.00 0.00 179.97 181.16 1aa4 h GLU 32 N 0.51 -0.22 -2.82 0.20 4.81 -0.98 -3.34 114.58 112.73 1aa4 h GLU 32 Ca -0.08 0.01 -0.64 0.00 -0.13 0.00 0.00 59.36 58.52 1aa4 h GLU 32 Cb 1.50 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.91 1aa4 h GLU 32 CO 0.17 0.21 3.16 -0.25 -0.73 0.00 0.00 179.01 181.58 1aa4 n ASP 33 N -4.94 8.32 0.10 1.04 9.92 0.23 -4.68 116.55 126.53 1aa4 n ASP 33 Ca -0.08 -2.70 0.13 0.00 -0.53 0.00 0.00 54.79 51.61 1aa4 n ASP 33 Cb 0.27 -1.50 0.39 0.00 -0.64 0.00 0.00 41.12 39.64 1aa4 n ASP 33 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1aa4 n ASP 34 N 3.05 0.80 0.21 -2.24 5.75 -1.26 -3.91 116.55 118.96 1aa4 n ASP 34 Ca 0.72 0.55 0.10 0.00 -0.01 0.00 0.00 54.79 56.15 1aa4 n ASP 34 Cb 0.29 -0.74 0.18 0.00 -1.03 0.00 0.00 41.12 39.82 1aa4 n ASP 34 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1aa4 h GLU 35 N 0.00 0.00 -6.27 0.11 9.09 -1.90 -3.33 114.58 112.28 1aa4 h GLU 35 Ca 0.00 0.00 -0.67 0.00 0.05 0.00 0.00 59.36 58.74 1aa4 h GLU 35 Cb 0.74 0.00 0.08 0.00 -1.65 0.00 0.00 28.75 27.91 1aa4 h GLU 35 CO 0.00 0.12 0.19 0.98 0.05 0.00 0.00 179.01 180.35 1aa4 n TYR 36 N -3.14 1.08 -3.62 2.06 9.36 -1.25 -1.66 117.16 119.99 1aa4 n TYR 36 Ca 0.03 0.74 -0.27 0.00 3.32 0.00 0.00 57.90 61.73 1aa4 n TYR 36 Cb 0.56 -2.23 0.04 0.00 -0.63 0.00 0.00 39.34 37.08 1aa4 n TYR 36 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1aa4 n ASP 37 N 1.97 -4.61 -3.92 2.98 2.03 -1.26 -1.19 116.55 112.54 1aa4 n ASP 37 Ca 0.16 -0.93 -0.29 0.00 0.52 0.00 0.00 54.79 54.25 1aa4 n ASP 37 Cb 0.23 -3.81 -0.01 0.00 -0.72 0.00 0.00 41.12 36.81 1aa4 n ASP 37 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1aa4 n ASN 38 N -2.85 -1.81 -0.89 1.67 4.13 -1.19 -1.62 115.26 112.69 1aa4 n ASN 38 Ca -0.13 -1.05 -0.12 0.00 1.68 0.00 0.00 54.58 54.96 1aa4 n ASN 38 Cb 0.62 -2.92 -0.05 0.00 -1.54 0.00 0.00 39.78 35.89 1aa4 n ASN 38 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1aa4 n TYR 39 N -4.42 0.00 0.01 3.10 4.02 -0.66 -4.89 117.16 114.32 1aa4 n TYR 39 Ca -0.24 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.55 1aa4 n TYR 39 Cb 0.65 -2.38 0.04 0.00 -0.02 0.00 0.00 39.34 37.64 1aa4 n TYR 39 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1aa4 h ILE 40 N 0.00 1.33 0.00 -0.72 2.04 -0.86 -3.47 117.51 115.83 1aa4 h ILE 40 Ca -0.24 -1.87 0.00 0.00 1.00 0.00 0.00 64.86 63.75 1aa4 h ILE 40 Cb 0.93 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 1aa4 h ILE 40 CO 0.35 0.58 0.00 0.61 0.00 0.00 0.00 178.15 179.69 1aa4 n GLY 41 N 0.33 -0.92 0.03 5.37 0.00 -0.34 -4.70 105.19 104.97 1aa4 n GLY 41 Ca -0.04 -1.67 0.13 0.00 0.00 0.00 0.00 46.02 44.44 1aa4 n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1aa4 n TYR 42 N -0.94 0.27 0.08 1.61 4.01 -1.26 -4.43 117.16 116.50 1aa4 n TYR 42 Ca 0.00 0.08 -0.14 0.00 -0.16 0.00 0.00 57.90 57.68 1aa4 n TYR 42 Cb 0.00 -0.63 -0.07 0.00 -0.31 0.00 0.00 39.34 38.32 1aa4 n TYR 42 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1aa4 h GLY 43 N 4.52 -0.84 0.78 2.72 0.00 -1.93 -2.26 103.07 106.06 1aa4 h GLY 43 Ca 0.00 0.52 0.03 0.00 0.00 0.00 0.00 47.33 47.88 1aa4 h GLY 43 CO 0.00 -0.26 0.13 -2.55 0.00 0.00 0.00 176.54 173.87 1aa4 h PRO 44 N -0.62 0.28 0.00 4.80 0.11 -1.90 -0.97 132.00 133.70 1aa4 h PRO 44 Ca 0.03 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 1aa4 h PRO 44 Cb 0.67 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.72 1aa4 h PRO 44 CO -0.29 0.18 -0.07 -0.24 -0.21 0.00 0.00 178.00 177.38 1aa4 h VAL 45 N 0.28 0.80 0.02 3.15 3.04 -1.83 -0.81 116.25 120.90 1aa4 h VAL 45 Ca 0.14 -0.25 -0.22 0.00 -1.01 0.00 0.00 66.70 65.36 1aa4 h VAL 45 Cb 0.09 1.15 -0.00 0.00 -2.01 0.00 0.00 31.29 30.51 1aa4 h VAL 45 CO -0.13 0.07 -0.95 -0.07 -1.01 0.00 0.00 177.57 175.48 1aa4 h LEU 46 N 0.00 0.40 -0.63 3.16 3.38 -0.61 -0.57 115.31 120.45 1aa4 h LEU 46 Ca -0.00 -0.33 -0.09 0.00 0.09 0.00 0.00 57.88 57.54 1aa4 h LEU 46 Cb 0.14 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1aa4 h LEU 46 CO 0.01 1.15 -0.44 -0.37 0.09 0.00 0.00 178.44 178.88 1aa4 h VAL 47 N 0.16 0.90 -0.35 1.22 -1.51 -0.37 -2.54 116.25 113.77 1aa4 h VAL 47 Ca -0.07 -1.80 -0.12 0.00 -1.23 0.00 0.00 66.70 63.48 1aa4 h VAL 47 Cb 1.59 2.11 -0.01 0.00 -2.13 0.00 0.00 31.29 32.85 1aa4 h VAL 47 CO 0.15 0.43 -0.28 -0.09 -1.23 0.00 0.00 177.57 176.55 1aa4 h ARG 48 N 0.00 0.75 -0.44 5.19 2.43 -1.06 -1.93 114.38 119.31 1aa4 h ARG 48 Ca -0.00 -0.33 -0.02 0.00 -0.81 0.00 0.00 59.98 58.82 1aa4 h ARG 48 Cb 1.08 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 1aa4 h ARG 48 CO 0.06 0.94 0.20 1.25 -1.51 0.00 0.00 179.97 180.91 1aa4 h LEU 49 N 0.64 0.59 -1.14 3.80 5.85 -1.00 -0.50 115.31 123.55 1aa4 h LEU 49 Ca 0.08 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 1aa4 h LEU 49 Cb 0.80 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1aa4 h LEU 49 CO 0.07 0.57 -0.06 0.00 -0.34 0.00 0.00 178.44 178.67 1aa4 h ALA 50 N 1.04 1.29 -0.10 1.25 0.00 -1.26 -1.51 119.26 119.96 1aa4 h ALA 50 Ca 0.15 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1aa4 h ALA 50 Cb 0.15 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1aa4 h ALA 50 CO -0.02 0.47 -0.14 2.35 0.00 0.00 0.00 179.25 181.92 1aa4 h TRP 51 N 0.50 0.34 0.00 0.00 2.91 -1.18 -3.00 115.95 115.52 1aa4 h TRP 51 Ca 0.10 -0.11 -0.08 0.00 1.13 0.00 0.00 58.89 59.93 1aa4 h TRP 51 Cb 0.42 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 28.99 1aa4 h TRP 51 CO 0.01 0.73 -0.37 0.45 -1.03 0.00 0.00 178.44 178.23 1aa4 h HIS 52 N -0.14 0.00 0.00 2.65 3.86 -0.85 0.38 115.15 121.05 1aa4 h HIS 52 Ca 0.01 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 1aa4 h HIS 52 Cb 0.69 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.15 1aa4 h HIS 52 CO 0.10 0.37 -0.17 -0.84 0.86 0.00 0.00 177.93 178.25 1aa4 h ILE 53 N 0.00 0.32 0.00 2.45 -0.00 -1.36 -3.25 117.51 115.67 1aa4 h ILE 53 Ca -0.00 -1.25 -0.28 0.00 -0.00 0.00 0.00 64.86 63.33 1aa4 h ILE 53 Cb 0.68 1.99 -0.05 0.00 -0.00 0.00 0.00 36.82 39.44 1aa4 h ILE 53 CO 0.05 0.16 -1.66 0.28 -0.00 0.00 0.00 178.15 176.99 1aa4 h SER 54 N 0.00 0.00 0.40 2.16 0.02 -1.26 -3.17 113.55 111.69 1aa4 h SER 54 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1aa4 h SER 54 Cb 0.97 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.51 1aa4 h SER 54 CO 0.02 0.95 0.00 0.61 -1.14 0.00 0.00 176.83 177.28 1aa4 n GLY 55 N 1.53 -0.90 0.00 -3.77 0.00 0.13 -2.15 105.19 100.03 1aa4 n GLY 55 Ca -0.16 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 45.95 1aa4 n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aa4 n THR 56 N -1.50 0.23 -1.78 2.61 -2.24 -1.26 -4.68 114.28 105.67 1aa4 n THR 56 Ca 0.03 0.06 -0.38 0.00 -2.27 0.00 0.00 64.05 61.48 1aa4 n THR 56 Cb 0.14 -0.62 0.04 0.00 -2.10 0.00 0.00 70.33 67.79 1aa4 n THR 56 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1aa4 s TRP 57 N -2.96 2.28 -0.17 4.78 -0.00 -0.91 -4.15 118.94 117.82 1aa4 s TRP 57 Ca 0.14 1.37 0.00 0.00 -0.00 0.00 0.00 56.10 57.61 1aa4 s TRP 57 Cb 0.17 -3.81 0.04 0.00 -0.00 0.00 0.00 33.47 29.87 1aa4 s TRP 57 CO 0.46 -2.91 -0.09 0.34 -0.00 0.00 0.00 176.95 174.74 1aa4 s ASP 58 N -0.94 3.00 0.64 5.86 -1.08 -0.36 -4.56 116.67 119.24 1aa4 s ASP 58 Ca 0.71 -0.70 0.36 0.00 -0.52 0.00 0.00 52.55 52.40 1aa4 s ASP 58 Cb -0.41 -1.10 1.97 0.00 -1.46 0.00 0.00 42.92 41.92 1aa4 s ASP 58 CO 0.48 -0.14 2.16 0.07 0.52 0.00 0.00 175.17 178.27 1aa4 h LYS 59 N 8.05 0.00 -0.02 4.34 2.10 -1.63 -1.03 116.57 128.39 1aa4 h LYS 59 Ca -0.29 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.12 1aa4 h LYS 59 Cb 1.11 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.45 1aa4 h LYS 59 CO 0.46 0.00 -0.95 0.45 -2.00 0.00 0.00 179.45 177.41 1aa4 h HIS 60 N 0.00 0.81 0.00 0.07 3.86 -1.95 -3.37 115.15 114.57 1aa4 h HIS 60 Ca 0.02 -0.43 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 1aa4 h HIS 60 Cb 0.33 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.70 1aa4 h HIS 60 CO 0.00 1.25 0.00 -0.40 0.86 0.00 0.00 177.93 179.64 1aa4 n ASP 61 N -3.81 1.36 -2.27 2.45 5.68 -1.15 -5.01 116.55 113.80 1aa4 n ASP 61 Ca -0.08 -1.62 -0.15 0.00 -0.50 0.00 0.00 54.79 52.44 1aa4 n ASP 61 Cb 0.84 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.80 1aa4 n ASP 61 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1aa4 n ASN 62 N -0.31 -4.40 -4.91 -1.12 5.15 -0.40 -4.09 115.26 105.19 1aa4 n ASN 62 Ca 0.00 0.17 -0.27 0.00 -0.60 0.00 0.00 54.58 53.88 1aa4 n ASN 62 Cb 0.27 -3.76 0.02 0.00 -0.53 0.00 0.00 39.78 35.78 1aa4 n ASN 62 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1aa4 s THR 63 N -2.66 4.25 0.00 -0.44 -4.23 -1.25 -4.88 115.64 106.43 1aa4 s THR 63 Ca 0.00 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.63 1aa4 s THR 63 Cb 0.00 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.19 1aa4 s THR 63 CO 0.00 -0.66 0.00 0.61 -0.54 0.00 0.00 174.62 174.03 1aa4 n GLY 64 N -2.45 -0.21 0.00 3.99 0.00 -1.26 -1.22 105.19 104.04 1aa4 n GLY 64 Ca 0.03 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1aa4 n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aa4 n GLY 65 N 0.00 0.12 0.23 -0.02 0.00 -1.26 -4.65 105.19 99.62 1aa4 n GLY 65 Ca 0.00 -1.82 0.15 0.00 0.00 0.00 0.00 46.02 44.35 1aa4 n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1aa4 h SER 66 N 0.00 0.00 -0.50 1.61 4.64 -1.77 -3.38 113.55 114.14 1aa4 h SER 66 Ca 0.00 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 1aa4 h SER 66 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 61.99 1aa4 h SER 66 CO 0.00 0.00 -0.43 0.22 -0.87 0.00 0.00 176.83 175.75 1aa4 h TYR 67 N 0.00 -1.25 -0.00 4.77 3.20 -1.86 -3.09 116.97 118.74 1aa4 h TYR 67 Ca 0.00 0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1aa4 h TYR 67 Cb 0.67 0.62 0.00 0.00 1.54 0.00 0.00 36.73 39.56 1aa4 h TYR 67 CO 0.00 -0.43 -0.06 0.41 -1.64 0.00 0.00 178.16 176.44 1aa4 n GLY 68 N -1.41 -1.34 2.41 1.82 0.00 -1.26 -2.85 105.19 102.56 1aa4 n GLY 68 Ca 0.01 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 1aa4 n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aa4 n GLY 69 N 1.41 -0.41 0.00 -0.02 0.00 -1.17 -2.17 105.19 102.83 1aa4 n GLY 69 Ca 0.10 -0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.20 1aa4 n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aa4 n THR 70 N -3.96 0.57 0.30 2.61 -2.24 -1.26 -2.54 114.28 107.76 1aa4 n THR 70 Ca -0.25 0.14 0.18 0.00 -2.27 0.00 0.00 64.05 61.85 1aa4 n THR 70 Cb 0.69 -0.87 0.95 0.00 -2.10 0.00 0.00 70.33 68.99 1aa4 n THR 70 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1aa4 h TYR 71 N 0.00 0.00 0.00 4.78 3.20 -1.94 -1.03 116.97 121.98 1aa4 h TYR 71 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1aa4 h TYR 71 Cb 0.16 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.43 1aa4 h TYR 71 CO 0.00 0.03 0.00 0.07 -1.64 0.00 0.00 178.16 176.62 1aa4 h ARG 72 N 0.00 0.00 -6.49 1.82 0.11 -1.89 -3.30 114.38 104.63 1aa4 h ARG 72 Ca -0.00 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.55 1aa4 h ARG 72 Cb 0.19 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.23 1aa4 h ARG 72 CO 0.00 0.00 0.10 -0.06 0.10 0.00 0.00 179.97 180.11 1aa4 s PHE 73 N -3.66 3.74 0.28 4.08 0.08 -0.39 -4.92 117.98 117.19 1aa4 s PHE 73 Ca 0.00 1.43 -0.02 0.00 0.12 0.00 0.00 56.93 58.46 1aa4 s PHE 73 Cb 0.09 -2.63 0.63 0.00 -0.57 0.00 0.00 43.02 40.54 1aa4 s PHE 73 CO 0.43 0.43 1.60 0.87 -0.10 0.00 0.00 175.22 178.45 1aa4 h LYS 74 N 3.85 0.06 0.06 0.44 6.56 -1.86 -0.74 116.57 124.93 1aa4 h LYS 74 Ca -0.48 -0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.13 1aa4 h LYS 74 Cb 1.20 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 32.81 1aa4 h LYS 74 CO 0.65 0.04 -0.20 -0.22 -2.06 0.00 0.00 179.45 177.66 1aa4 h LYS 75 N 0.06 -0.34 -0.23 3.15 3.64 -1.94 0.22 116.57 121.13 1aa4 h LYS 75 Ca 0.53 0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.73 1aa4 h LYS 75 Cb 1.02 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1aa4 h LYS 75 CO -0.81 -0.23 -0.63 1.49 -2.27 0.00 0.00 179.45 177.00 1aa4 h GLU 76 N -0.35 0.81 -0.37 1.90 4.81 -1.66 -2.55 114.58 117.16 1aa4 h GLU 76 Ca 0.04 -0.56 -0.02 0.00 -0.13 0.00 0.00 59.36 58.69 1aa4 h GLU 76 Cb 0.40 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 1aa4 h GLU 76 CO -0.15 1.19 0.14 0.35 -0.73 0.00 0.00 179.01 179.82 1aa4 h PHE 77 N 0.60 0.52 -0.56 0.92 3.57 -0.90 -2.50 116.94 118.60 1aa4 h PHE 77 Ca -0.01 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1aa4 h PHE 77 Cb 1.24 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1aa4 h PHE 77 CO 0.07 0.42 0.00 0.09 -2.23 0.00 0.00 178.31 176.66 1aa4 n ASN 78 N -4.38 3.11 -4.68 0.41 5.03 0.74 -4.85 115.26 110.63 1aa4 n ASN 78 Ca 0.02 -1.99 -0.45 0.00 0.87 0.00 0.00 54.58 53.04 1aa4 n ASN 78 Cb 0.14 -0.37 -0.04 0.00 -1.02 0.00 0.00 39.78 38.50 1aa4 n ASN 78 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1aa4 n ASP 79 N 1.20 3.35 0.22 6.41 -0.08 -0.94 -4.87 116.55 121.84 1aa4 n ASP 79 Ca 0.20 1.07 0.10 0.00 -1.51 0.00 0.00 54.79 54.65 1aa4 n ASP 79 Cb 0.50 -1.46 0.66 0.00 2.34 0.00 0.00 41.12 43.15 1aa4 n ASP 79 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1aa4 h PRO 80 N 6.30 0.00 0.00 -0.67 0.11 -1.91 -0.71 132.00 135.12 1aa4 h PRO 80 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1aa4 h PRO 80 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1aa4 h PRO 80 CO 0.91 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 179.47 1aa4 h SER 81 N 0.00 0.00 -0.16 -2.05 0.02 -1.94 -2.63 113.55 106.79 1aa4 h SER 81 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1aa4 h SER 81 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1aa4 h SER 81 CO -0.00 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.28 1aa4 n ASN 82 N -3.05 2.13 -4.65 3.07 3.02 -0.27 -4.99 115.26 110.51 1aa4 n ASN 82 Ca -0.00 -1.75 -0.51 0.00 -0.03 0.00 0.00 54.58 52.29 1aa4 n ASN 82 Cb 0.24 -0.10 -0.05 0.00 -0.61 0.00 0.00 39.78 39.26 1aa4 n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1aa4 n ALA 83 N 0.63 0.23 0.00 5.41 0.00 -0.99 -0.81 120.51 124.98 1aa4 n ALA 83 Ca 0.17 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1aa4 n ALA 83 Cb 0.42 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1aa4 n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aa4 n GLY 84 N 3.47 3.38 0.12 0.00 0.00 -1.26 -4.85 105.19 106.05 1aa4 n GLY 84 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.34 1aa4 n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1aa4 n LEU 85 N 0.00 0.69 -0.12 0.99 4.77 0.01 -2.79 117.00 120.56 1aa4 n LEU 85 Ca 0.00 0.64 0.21 0.00 -0.03 0.00 0.00 56.01 56.82 1aa4 n LEU 85 Cb 0.00 -0.50 0.62 0.00 -2.33 0.00 0.00 43.42 41.21 1aa4 n LEU 85 CO 0.00 -0.44 1.21 1.56 -1.33 0.00 0.00 177.39 178.39 1aa4 h GLN 86 N 0.00 0.16 -0.23 3.23 7.50 -1.91 0.45 115.11 124.31 1aa4 h GLN 86 Ca 0.00 -0.01 -0.08 0.00 0.50 0.00 0.00 58.65 59.06 1aa4 h GLN 86 Cb 0.47 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.95 1aa4 h GLN 86 CO 0.00 0.11 -0.21 -0.91 -1.50 0.00 0.00 178.83 176.32 1aa4 h ASN 87 N 0.17 0.41 -0.16 1.46 2.35 -1.92 -1.01 115.58 116.88 1aa4 h ASN 87 Ca 0.36 -0.12 -0.18 0.00 -0.55 0.00 0.00 56.30 55.81 1aa4 h ASN 87 Cb 1.16 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 39.42 1aa4 h ASN 87 CO -0.06 0.63 -0.59 1.23 -1.65 0.00 0.00 177.43 176.99 1aa4 h GLY 88 N 0.97 0.75 0.73 2.83 0.00 -1.13 -2.86 103.07 104.36 1aa4 h GLY 88 Ca 0.06 -1.00 0.03 0.00 0.00 0.00 0.00 47.33 46.42 1aa4 h GLY 88 CO 0.04 0.89 0.06 -2.75 0.00 0.00 0.00 176.54 174.78 1aa4 h PHE 89 N 0.36 0.10 -0.09 5.60 3.57 -1.10 -1.76 116.94 123.61 1aa4 h PHE 89 Ca -0.03 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1aa4 h PHE 89 Cb 1.22 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 1aa4 h PHE 89 CO 0.10 0.03 -0.13 0.87 -2.23 0.00 0.00 178.31 176.95 1aa4 h LYS 90 N 0.16 0.14 -0.32 1.11 1.57 -1.29 -0.82 116.57 117.11 1aa4 h LYS 90 Ca 0.12 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1aa4 h LYS 90 Cb 0.11 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1aa4 h LYS 90 CO -0.15 0.28 0.15 0.35 -0.57 0.00 0.00 179.45 179.51 1aa4 h PHE 91 N 0.13 0.47 0.00 -1.35 3.04 -1.19 -3.17 116.94 114.87 1aa4 h PHE 91 Ca 0.03 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.93 1aa4 h PHE 91 Cb 0.32 -0.14 -0.00 0.00 2.56 0.00 0.00 35.95 38.68 1aa4 h PHE 91 CO 0.00 0.41 -0.14 -0.07 -2.02 0.00 0.00 178.31 176.50 1aa4 h LEU 92 N 0.39 0.00 -0.47 0.59 3.38 -0.84 -3.38 115.31 114.97 1aa4 h LEU 92 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1aa4 h LEU 92 Cb 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1aa4 h LEU 92 CO -0.01 0.14 0.31 -0.08 0.09 0.00 0.00 178.44 178.88 1aa4 h GLU 93 N 0.00 0.62 -0.84 1.13 4.81 -1.13 -1.68 114.58 117.49 1aa4 h GLU 93 Ca -0.00 -0.04 0.21 0.00 -0.13 0.00 0.00 59.36 59.40 1aa4 h GLU 93 Cb 0.94 -0.14 -0.14 0.00 0.63 0.00 0.00 28.75 30.05 1aa4 h GLU 93 CO 0.02 0.41 0.18 -1.00 -0.73 0.00 0.00 179.01 177.89 1aa4 h PRO 94 N 0.63 0.19 -0.18 0.92 0.13 -1.74 -2.21 132.00 129.75 1aa4 h PRO 94 Ca 0.17 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 65.21 1aa4 h PRO 94 Cb -0.07 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.00 1aa4 h PRO 94 CO -0.04 0.13 -0.24 0.82 -0.23 0.00 0.00 178.00 178.44 1aa4 h ILE 95 N 0.20 1.25 -0.07 -3.56 2.04 -1.55 -2.07 117.51 113.75 1aa4 h ILE 95 Ca 0.51 -1.17 -0.16 0.00 1.00 0.00 0.00 64.86 65.04 1aa4 h ILE 95 Cb 0.98 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 1aa4 h ILE 95 CO -0.64 0.36 -0.65 -0.74 0.00 0.00 0.00 178.15 176.48 1aa4 h HIS 96 N 0.30 0.37 -0.75 1.37 2.76 -0.96 0.16 115.15 118.40 1aa4 h HIS 96 Ca 0.05 -0.15 -0.05 0.00 -2.20 0.00 0.00 60.37 58.02 1aa4 h HIS 96 Cb 0.60 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.46 1aa4 h HIS 96 CO 0.01 0.85 0.27 0.87 -1.30 0.00 0.00 177.93 178.63 1aa4 h LYS 97 N 0.20 1.13 -0.05 5.26 1.79 -1.16 -2.56 116.57 121.18 1aa4 h LYS 97 Ca -0.01 -0.21 -0.14 0.00 -2.18 0.00 0.00 60.65 58.10 1aa4 h LYS 97 Cb 1.18 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.64 1aa4 h LYS 97 CO 0.10 0.93 -0.61 1.49 -1.08 0.00 0.00 179.45 180.29 1aa4 h GLU 98 N 1.09 0.17 -2.36 3.15 4.81 -1.01 -3.36 114.58 117.07 1aa4 h GLU 98 Ca 0.25 -0.12 -0.60 0.00 -0.13 0.00 0.00 59.36 58.76 1aa4 h GLU 98 Cb 0.24 0.02 -0.41 0.00 0.63 0.00 0.00 28.75 29.23 1aa4 h GLU 98 CO -0.02 0.72 -0.72 1.19 -0.73 0.00 0.00 179.01 179.46 1aa4 n PHE 99 N -3.86 2.39 0.35 0.92 3.72 0.01 -4.95 117.46 116.05 1aa4 n PHE 99 Ca -0.02 -4.00 0.14 0.00 -0.05 0.00 0.00 57.45 53.51 1aa4 n PHE 99 Cb 0.61 -0.46 0.57 0.00 -0.94 0.00 0.00 39.48 39.26 1aa4 n PHE 99 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1aa4 h PRO 100 N 4.53 0.00 0.00 -1.08 0.13 -1.63 -2.49 132.00 131.46 1aa4 h PRO 100 Ca 0.17 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.23 1aa4 h PRO 100 Cb 0.74 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 1aa4 h PRO 100 CO 0.70 0.00 -0.32 0.11 -0.23 0.00 0.00 178.00 178.26 1aa4 h TRP 101 N 0.00 0.00 -3.75 1.56 5.08 -1.92 -3.45 115.95 113.47 1aa4 h TRP 101 Ca 0.00 0.00 -0.51 0.00 1.08 0.00 0.00 58.89 59.46 1aa4 h TRP 101 Cb 0.38 0.00 0.02 0.00 -3.00 0.00 0.00 29.16 26.57 1aa4 h TRP 101 CO 0.00 0.32 0.50 -1.50 -1.28 0.00 0.00 178.44 176.48 1aa4 s ILE 102 N -3.73 3.46 0.74 0.12 2.07 -0.94 -4.94 121.20 117.98 1aa4 s ILE 102 Ca -0.00 1.41 -0.11 0.00 -1.41 0.00 0.00 60.65 60.53 1aa4 s ILE 102 Cb 0.11 -3.90 0.04 0.00 0.13 0.00 0.00 42.46 38.85 1aa4 s ILE 102 CO 0.67 0.31 1.09 -0.94 -1.91 0.00 0.00 174.94 174.16 1aa4 s SER 103 N -0.63 4.72 0.09 4.50 1.04 -1.26 -4.88 113.70 117.27 1aa4 s SER 103 Ca 0.46 1.83 -0.22 0.00 0.48 0.00 0.00 55.95 58.51 1aa4 s SER 103 Cb -0.33 -2.52 -0.13 0.00 0.10 0.00 0.00 66.02 63.14 1aa4 s SER 103 CO 0.41 -1.89 1.70 0.28 0.98 0.00 0.00 173.24 174.72 1aa4 h SER 104 N -0.86 0.08 -0.94 7.02 0.02 -1.91 -0.84 113.55 116.12 1aa4 h SER 104 Ca -0.44 -0.06 0.10 0.00 -0.84 0.00 0.00 61.79 60.55 1aa4 h SER 104 Cb 1.23 -0.02 -0.08 0.00 0.14 0.00 0.00 62.40 63.68 1aa4 h SER 104 CO 0.52 0.11 0.58 1.23 -1.14 0.00 0.00 176.83 178.14 1aa4 h GLY 105 N 0.04 1.49 0.94 -3.77 0.00 -1.79 -0.66 103.07 99.32 1aa4 h GLY 105 Ca 0.02 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 46.87 1aa4 h GLY 105 CO -0.00 0.20 -0.11 -0.55 0.00 0.00 0.00 176.54 176.07 1aa4 h ASP 106 N 0.97 0.70 -0.28 0.19 5.19 -1.80 -0.79 116.42 120.60 1aa4 h ASP 106 Ca 0.45 -0.38 -0.05 0.00 -0.62 0.00 0.00 57.03 56.43 1aa4 h ASP 106 Cb 0.36 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 1aa4 h ASP 106 CO -0.23 0.92 -0.01 0.25 -3.12 0.00 0.00 179.24 177.04 1aa4 h LEU 107 N 0.47 0.49 -0.59 1.55 5.85 -0.40 -0.53 115.31 122.16 1aa4 h LEU 107 Ca 0.08 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1aa4 h LEU 107 Cb 0.63 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1aa4 h LEU 107 CO 0.04 0.69 0.31 -0.26 -0.34 0.00 0.00 178.44 178.89 1aa4 h PHE 108 N 0.28 0.82 -0.19 1.25 0.04 -1.17 -1.16 116.94 116.81 1aa4 h PHE 108 Ca 0.08 -0.02 -0.16 0.00 2.80 0.00 0.00 57.97 60.66 1aa4 h PHE 108 Cb 0.45 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 1aa4 h PHE 108 CO 0.04 0.60 -0.54 0.66 -0.60 0.00 0.00 178.31 178.47 1aa4 h SER 109 N 0.80 0.62 0.30 2.17 4.64 -1.09 -3.12 113.55 117.87 1aa4 h SER 109 Ca 0.21 -0.33 -0.09 0.00 -0.47 0.00 0.00 61.79 61.11 1aa4 h SER 109 Cb 0.06 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1aa4 h SER 109 CO -0.03 1.04 -0.38 0.25 -0.87 0.00 0.00 176.83 176.84 1aa4 h LEU 110 N 0.43 0.12 -0.80 5.97 5.85 -0.95 -2.27 115.31 123.66 1aa4 h LEU 110 Ca 0.01 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.74 1aa4 h LEU 110 Cb 1.08 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 1aa4 h LEU 110 CO 0.10 0.49 0.49 1.23 -0.34 0.00 0.00 178.44 180.42 1aa4 h GLY 111 N 1.17 1.18 0.93 3.75 0.00 -1.15 0.10 103.07 109.05 1aa4 h GLY 111 Ca 0.01 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 46.94 1aa4 h GLY 111 CO 0.05 0.27 0.11 -1.33 0.00 0.00 0.00 176.54 175.64 1aa4 h GLY 112 N 0.93 0.68 0.99 4.60 0.00 -1.43 -1.66 103.07 107.17 1aa4 h GLY 112 Ca 0.34 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1aa4 h GLY 112 CO -0.15 0.39 0.32 -2.08 0.00 0.00 0.00 176.54 175.01 1aa4 h VAL 113 N 0.50 1.17 -0.36 4.60 2.07 -0.95 -2.60 116.25 120.67 1aa4 h VAL 113 Ca 0.13 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 1aa4 h VAL 113 Cb 0.29 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1aa4 h VAL 113 CO -0.00 0.17 0.09 0.74 0.02 0.00 0.00 177.57 178.59 1aa4 h THR 114 N 0.72 1.22 -0.37 2.57 2.02 -0.73 -2.36 112.91 115.98 1aa4 h THR 114 Ca 0.19 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.61 1aa4 h THR 114 Cb -0.00 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1aa4 h THR 114 CO -0.03 0.26 0.24 0.00 0.37 0.00 0.00 175.52 176.36 1aa4 h ALA 115 N 0.93 0.47 0.04 6.16 0.00 -1.24 -0.39 119.26 125.23 1aa4 h ALA 115 Ca 0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1aa4 h ALA 115 Cb 0.30 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1aa4 h ALA 115 CO 0.00 -0.07 -0.02 0.28 0.00 0.00 0.00 179.25 179.44 1aa4 h VAL 116 N 0.50 0.96 -0.65 0.00 2.07 -1.38 0.15 116.25 117.90 1aa4 h VAL 116 Ca 0.14 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.60 1aa4 h VAL 116 Cb -0.06 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1aa4 h VAL 116 CO -0.03 0.00 0.22 1.56 0.02 0.00 0.00 177.57 179.34 1aa4 h GLN 117 N -0.06 1.00 0.00 1.57 4.20 -1.38 0.18 115.11 120.62 1aa4 h GLN 117 Ca -0.01 -0.21 -0.07 0.00 0.06 0.00 0.00 58.65 58.42 1aa4 h GLN 117 Cb 0.05 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1aa4 h GLN 117 CO 0.01 0.87 -0.35 0.93 -0.67 0.00 0.00 178.83 179.62 1aa4 h GLU 118 N 0.93 0.00 -0.94 1.46 4.39 -0.93 -2.23 114.58 117.26 1aa4 h GLU 118 Ca 0.21 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.82 1aa4 h GLU 118 Cb 0.27 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.87 1aa4 h GLU 118 CO -0.01 0.35 0.11 -1.33 -1.16 0.00 0.00 179.01 176.97 1aa4 n MET 119 N -3.74 1.80 -3.05 2.33 2.81 0.03 -4.87 117.12 112.43 1aa4 n MET 119 Ca -0.01 -0.99 -0.21 0.00 -1.81 0.00 0.00 57.70 54.68 1aa4 n MET 119 Cb 0.44 -1.55 0.01 0.00 -0.71 0.00 0.00 33.22 31.41 1aa4 n MET 119 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1aa4 n GLN 120 N 0.08 -3.66 -0.61 0.03 0.00 -0.84 -0.49 117.38 111.88 1aa4 n GLN 120 Ca 0.15 0.68 -0.13 0.00 0.00 0.00 0.00 57.00 57.69 1aa4 n GLN 120 Cb 0.73 -5.42 0.10 0.00 0.00 0.00 0.00 30.24 25.65 1aa4 n GLN 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1aa4 n GLY 121 N -1.23 -2.06 3.77 2.61 0.00 0.62 -4.73 105.19 104.17 1aa4 n GLY 121 Ca -0.08 -1.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 1aa4 n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1aa4 s PRO 122 N -4.16 2.72 0.25 1.61 0.04 -1.26 -4.68 135.00 129.52 1aa4 s PRO 122 Ca 0.32 1.34 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 1aa4 s PRO 122 Cb -0.02 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 32.47 1aa4 s PRO 122 CO 0.24 -1.30 1.56 0.15 0.04 0.00 0.00 177.00 177.69 1aa4 s LYS 123 N -4.25 4.18 -0.35 4.56 -0.14 -1.26 -4.39 119.74 118.08 1aa4 s LYS 123 Ca 0.66 2.47 -0.06 0.00 -1.36 0.00 0.00 55.97 57.67 1aa4 s LYS 123 Cb -0.20 -3.07 0.05 0.00 -1.68 0.00 0.00 37.83 32.93 1aa4 s LYS 123 CO 0.44 -0.58 0.13 0.42 -0.76 0.00 0.00 175.35 175.00 1aa4 s ILE 124 N 0.32 3.79 0.06 2.17 -1.09 -1.26 -4.87 121.20 120.32 1aa4 s ILE 124 Ca 0.65 -1.25 -0.38 0.00 -2.23 0.00 0.00 60.65 57.44 1aa4 s ILE 124 Cb -0.46 -3.21 -0.18 0.00 -1.58 0.00 0.00 42.46 37.04 1aa4 s ILE 124 CO 0.42 -0.26 1.24 -2.65 -1.23 0.00 0.00 174.94 172.45 1aa4 n PRO 125 N 4.81 0.76 -4.59 2.79 -0.02 -1.26 -4.78 135.00 132.71 1aa4 n PRO 125 Ca -0.11 0.28 -0.22 0.00 -2.02 0.00 0.00 63.50 61.42 1aa4 n PRO 125 Cb 0.44 -1.86 -0.15 0.00 -0.02 0.00 0.00 33.50 31.91 1aa4 n PRO 125 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1aa4 s TRP 126 N 0.28 1.22 -0.08 6.00 -0.00 -0.60 -4.81 118.94 120.95 1aa4 s TRP 126 Ca 0.86 -0.24 0.03 0.00 -0.00 0.00 0.00 56.10 56.74 1aa4 s TRP 126 Cb -1.05 -0.78 -0.02 0.00 -0.00 0.00 0.00 33.47 31.62 1aa4 s TRP 126 CO 0.50 -0.01 -0.16 1.03 -0.00 0.00 0.00 176.95 178.31 1aa4 s ARG 127 N -0.42 2.88 0.73 5.86 0.52 -1.26 -0.13 118.95 127.13 1aa4 s ARG 127 Ca 0.05 -0.73 -0.06 0.00 -0.52 0.00 0.00 55.73 54.47 1aa4 s ARG 127 Cb -0.06 -2.44 0.10 0.00 0.52 0.00 0.00 34.95 33.07 1aa4 s ARG 127 CO -0.00 0.41 1.03 0.00 0.02 0.00 0.00 175.30 176.76 1aa4 n GLY 129 N -2.97 1.12 3.76 0.00 0.00 -1.26 -4.74 105.19 101.09 1aa4 n GLY 129 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1aa4 n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aa4 s ARG 130 N 0.00 3.57 -0.09 1.61 0.52 -1.26 -0.30 118.95 123.00 1aa4 s ARG 130 Ca 0.00 2.34 0.03 0.00 -0.52 0.00 0.00 55.73 57.57 1aa4 s ARG 130 Cb 0.00 -2.55 0.01 0.00 0.52 0.00 0.00 34.95 32.92 1aa4 s ARG 130 CO 0.00 -0.88 -0.17 0.08 0.02 0.00 0.00 175.30 174.34 1aa4 s VAL 131 N -1.24 1.58 0.22 3.52 1.01 -1.13 -4.68 120.40 119.67 1aa4 s VAL 131 Ca 0.63 -0.72 -0.32 0.00 0.00 0.00 0.00 61.98 61.58 1aa4 s VAL 131 Cb -0.42 -1.40 -0.12 0.00 0.00 0.00 0.00 36.38 34.43 1aa4 s VAL 131 CO 0.53 0.45 1.68 0.47 0.00 0.00 0.00 175.10 178.24 1aa4 n ASP 132 N 3.84 3.88 -4.65 3.32 9.92 -1.26 -3.98 116.55 127.62 1aa4 n ASP 132 Ca -0.20 1.08 -0.24 0.00 -0.53 0.00 0.00 54.79 54.90 1aa4 n ASP 132 Cb 0.52 -1.57 -0.08 0.00 -0.64 0.00 0.00 41.12 39.36 1aa4 n ASP 132 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1aa4 s THR 133 N 0.89 3.00 0.79 -3.53 -4.23 -0.92 -5.01 115.64 106.63 1aa4 s THR 133 Ca 0.73 -1.91 -0.12 0.00 -1.18 0.00 0.00 61.69 59.21 1aa4 s THR 133 Cb -0.52 -2.83 0.07 0.00 1.34 0.00 0.00 72.50 70.56 1aa4 s THR 133 CO 0.36 -0.27 1.13 -2.84 -0.54 0.00 0.00 174.62 172.47 1aa4 s PRO 134 N -3.72 1.94 0.51 3.99 0.02 -1.26 -4.88 135.00 131.60 1aa4 s PRO 134 Ca 0.34 1.44 0.29 0.00 0.02 0.00 0.00 61.00 63.09 1aa4 s PRO 134 Cb -0.03 -1.84 1.40 0.00 0.02 0.00 0.00 34.50 34.05 1aa4 s PRO 134 CO 0.20 -1.92 1.86 1.49 -0.33 0.00 0.00 177.00 178.30 1aa4 h GLU 135 N -1.01 0.10 0.00 5.54 4.81 -1.99 0.96 114.58 122.99 1aa4 h GLU 135 Ca -0.45 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1aa4 h GLU 135 Cb 1.26 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1aa4 h GLU 135 CO 0.48 0.06 0.00 -0.40 -0.73 0.00 0.00 179.01 178.43 1aa4 n ASP 136 N -4.33 0.36 -0.08 1.04 5.75 -1.26 -1.94 116.55 116.09 1aa4 n ASP 136 Ca 0.21 0.59 0.13 0.00 -0.01 0.00 0.00 54.79 55.70 1aa4 n ASP 136 Cb 0.97 -0.66 0.38 0.00 -1.03 0.00 0.00 41.12 40.78 1aa4 n ASP 136 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1aa4 n THR 137 N -1.90 0.00 -1.66 2.12 -2.24 0.33 -4.92 114.28 106.01 1aa4 n THR 137 Ca 0.03 -0.04 -0.49 0.00 -2.27 0.00 0.00 64.05 61.27 1aa4 n THR 137 Cb 0.20 0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.53 1aa4 n THR 137 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1aa4 n THR 138 N -1.19 0.52 -1.76 4.28 -1.04 -0.82 -4.72 114.28 109.55 1aa4 n THR 138 Ca 0.09 -0.13 -0.38 0.00 -2.04 0.00 0.00 64.05 61.58 1aa4 n THR 138 Cb 0.33 -1.84 0.04 0.00 -1.82 0.00 0.00 70.33 67.04 1aa4 n THR 138 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1aa4 s PRO 139 N 4.36 3.12 0.60 -2.82 0.04 -1.26 -5.00 135.00 134.04 1aa4 s PRO 139 Ca 0.95 2.26 -0.18 0.00 0.04 0.00 0.00 61.00 64.07 1aa4 s PRO 139 Cb -0.72 -2.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.53 1aa4 s PRO 139 CO 0.52 -1.21 1.15 -0.51 0.04 0.00 0.00 177.00 176.99 1aa4 s ASP 140 N -0.93 5.32 0.75 6.66 1.01 -1.26 -4.64 116.67 123.58 1aa4 s ASP 140 Ca 0.72 2.21 -0.16 0.00 0.71 0.00 0.00 52.55 56.03 1aa4 s ASP 140 Cb -0.41 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 40.91 1aa4 s ASP 140 CO 0.48 -1.49 0.49 0.59 0.21 0.00 0.00 175.17 175.46 1aa4 n ASN 141 N -1.73 -1.36 0.00 0.27 4.13 -1.26 -4.19 115.26 111.11 1aa4 n ASN 141 Ca 0.12 0.56 0.00 0.00 1.68 0.00 0.00 54.58 56.94 1aa4 n ASN 141 Cb 0.51 -1.21 0.00 0.00 -1.54 0.00 0.00 39.78 37.54 1aa4 n ASN 141 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1aa4 n GLY 142 N 1.66 0.88 0.05 7.41 0.00 -1.26 -4.98 105.19 108.95 1aa4 n GLY 142 Ca 0.10 -0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.08 1aa4 n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aa4 n ARG 143 N -2.22 0.24 -3.34 1.61 1.74 -1.26 -4.95 116.66 108.49 1aa4 n ARG 143 Ca 0.00 -0.09 -0.31 0.00 -0.77 0.00 0.00 57.85 56.68 1aa4 n ARG 143 Cb 0.00 -1.48 -0.05 0.00 -1.02 0.00 0.00 32.46 29.92 1aa4 n ARG 143 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1aa4 s LEU 144 N -2.93 4.10 0.39 0.55 1.43 -1.26 -4.74 118.68 116.22 1aa4 s LEU 144 Ca 0.09 0.89 -0.24 0.00 -1.03 0.00 0.00 54.13 53.84 1aa4 s LEU 144 Cb 0.16 -3.68 -0.09 0.00 0.03 0.00 0.00 46.19 42.60 1aa4 s LEU 144 CO 0.83 -0.14 1.01 -2.16 0.23 0.00 0.00 176.35 176.12 1aa4 s PRO 145 N -3.12 4.23 0.48 1.29 0.04 -1.26 -5.05 135.00 131.61 1aa4 s PRO 145 Ca 0.47 1.41 -0.20 0.00 0.04 0.00 0.00 61.00 62.72 1aa4 s PRO 145 Cb -0.11 -2.51 -0.09 0.00 0.04 0.00 0.00 34.50 31.83 1aa4 s PRO 145 CO 0.24 -0.06 1.00 -0.51 0.04 0.00 0.00 177.00 177.71 1aa4 s ASP 146 N -1.69 6.52 0.12 6.66 1.01 -1.26 -5.00 116.67 123.03 1aa4 s ASP 146 Ca 0.58 1.80 0.23 0.00 0.71 0.00 0.00 52.55 55.86 1aa4 s ASP 146 Cb -0.19 -2.55 0.03 0.00 1.01 0.00 0.00 42.92 41.22 1aa4 s ASP 146 CO 0.24 -0.66 1.02 0.00 0.21 0.00 0.00 175.17 175.99 1aa4 n ALA 147 N -1.02 2.87 -0.06 5.23 0.00 -1.26 -4.35 120.51 121.92 1aa4 n ALA 147 Ca 0.08 -0.32 -0.10 0.00 0.00 0.00 0.00 53.44 53.11 1aa4 n ALA 147 Cb 0.53 -1.04 0.10 0.00 0.00 0.00 0.00 19.45 19.05 1aa4 n ALA 147 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1aa4 n ASP 148 N -2.33 3.36 -2.70 0.00 5.75 -1.26 -1.65 116.55 117.71 1aa4 n ASP 148 Ca 0.01 -2.74 -0.08 0.00 -0.01 0.00 0.00 54.79 51.96 1aa4 n ASP 148 Cb 0.50 -0.66 -0.02 0.00 -1.03 0.00 0.00 41.12 39.92 1aa4 n ASP 148 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1aa4 n LYS 149 N -0.22 1.66 -3.74 0.11 4.76 -1.26 -4.92 118.16 114.56 1aa4 n LYS 149 Ca 0.27 -0.96 -0.25 0.00 -2.87 0.00 0.00 58.31 54.50 1aa4 n LYS 149 Cb 1.02 0.25 -0.00 0.00 -1.84 0.00 0.00 35.03 34.46 1aa4 n LYS 149 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1aa4 n ASP 150 N -1.12 2.69 -0.34 4.39 5.75 -1.26 -3.21 116.55 123.45 1aa4 n ASP 150 Ca -0.05 -2.79 0.09 0.00 -0.01 0.00 0.00 54.79 52.03 1aa4 n ASP 150 Cb 0.17 -0.01 0.28 0.00 -1.03 0.00 0.00 41.12 40.53 1aa4 n ASP 150 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1aa4 h ALA 151 N 0.73 1.62 -0.59 2.12 0.00 -1.90 -0.60 119.26 120.63 1aa4 h ALA 151 Ca -0.33 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 1aa4 h ALA 151 Cb 1.19 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1aa4 h ALA 151 CO 0.52 0.13 0.10 0.78 0.00 0.00 0.00 179.25 180.78 1aa4 h GLY 152 N 0.90 1.03 0.92 0.00 0.00 -1.96 -0.77 103.07 103.18 1aa4 h GLY 152 Ca 0.49 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1aa4 h GLY 152 CO -0.26 0.61 -0.09 -1.82 0.00 0.00 0.00 176.54 174.98 1aa4 h TYR 153 N 0.90 -0.23 -0.70 5.60 3.20 -1.52 -1.92 116.97 122.31 1aa4 h TYR 153 Ca 0.19 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.13 1aa4 h TYR 153 Cb 0.39 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.67 1aa4 h TYR 153 CO 0.03 -0.07 0.37 0.28 -1.64 0.00 0.00 178.16 177.12 1aa4 h VAL 154 N -0.33 0.90 -0.42 1.81 2.07 -1.27 0.13 116.25 119.14 1aa4 h VAL 154 Ca -0.03 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1aa4 h VAL 154 Cb 0.26 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1aa4 h VAL 154 CO 0.04 0.12 0.17 -0.09 0.02 0.00 0.00 177.57 177.83 1aa4 h ARG 155 N 0.65 0.62 -0.02 1.57 2.43 -1.07 -2.00 114.38 116.56 1aa4 h ARG 155 Ca 0.33 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 1aa4 h ARG 155 Cb 0.29 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1aa4 h ARG 155 CO -0.23 0.58 -0.01 1.15 -1.51 0.00 0.00 179.97 179.94 1aa4 h THR 156 N 0.53 1.33 -0.43 0.20 2.02 -1.14 -2.88 112.91 112.55 1aa4 h THR 156 Ca 0.14 -1.01 0.09 0.00 0.77 0.00 0.00 66.41 66.39 1aa4 h THR 156 Cb 0.18 1.97 -0.08 0.00 -1.74 0.00 0.00 68.15 68.48 1aa4 h THR 156 CO -0.01 0.27 -0.10 0.15 0.37 0.00 0.00 175.52 176.19 1aa4 h PHE 157 N -0.36 -0.22 0.00 3.16 3.57 -0.69 -2.61 116.94 119.79 1aa4 h PHE 157 Ca 0.01 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1aa4 h PHE 157 Cb 0.44 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.35 1aa4 h PHE 157 CO 0.07 -0.18 0.00 1.19 -2.23 0.00 0.00 178.31 177.16 1aa4 n PHE 158 N -5.32 0.51 0.22 0.41 3.72 -0.76 -2.03 117.46 114.21 1aa4 n PHE 158 Ca 0.03 0.19 0.08 0.00 -0.05 0.00 0.00 57.45 57.70 1aa4 n PHE 158 Cb 0.23 -0.81 0.48 0.00 -0.94 0.00 0.00 39.48 38.45 1aa4 n PHE 158 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1aa4 h GLN 159 N 0.00 0.00 0.00 -1.08 4.20 -1.24 -1.95 115.11 115.04 1aa4 h GLN 159 Ca 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1aa4 h GLN 159 Cb 0.39 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1aa4 h GLN 159 CO 0.00 0.27 -0.23 -0.09 -0.67 0.00 0.00 178.83 178.11 1aa4 h ARG 160 N 0.00 0.00 -0.76 1.46 2.43 -1.51 -1.73 114.38 114.28 1aa4 h ARG 160 Ca -0.00 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 1aa4 h ARG 160 Cb 0.66 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.10 1aa4 h ARG 160 CO 0.04 0.23 0.23 1.28 -1.51 0.00 0.00 179.97 180.24 1aa4 n LEU 161 N -4.08 5.81 0.00 3.80 4.77 -0.96 -1.61 117.00 124.73 1aa4 n LEU 161 Ca -0.02 -3.01 0.00 0.00 -0.03 0.00 0.00 56.01 52.95 1aa4 n LEU 161 Cb 0.30 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 1aa4 n LEU 161 CO 0.36 0.75 0.00 -0.46 -1.33 0.00 0.00 177.39 176.71 1aa4 n ASN 162 N -0.02 0.00 -4.69 -1.43 6.94 -0.65 -4.99 115.26 110.42 1aa4 n ASN 162 Ca 0.37 0.00 -0.35 0.00 -0.02 0.00 0.00 54.58 54.58 1aa4 n ASN 162 Cb 1.31 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 38.64 1aa4 n ASN 162 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1aa4 s MET 163 N 0.00 3.77 0.56 -3.83 -1.94 -0.77 -5.02 119.30 112.08 1aa4 s MET 163 Ca 0.00 -0.31 -0.01 0.00 -1.71 0.00 0.00 55.69 53.66 1aa4 s MET 163 Cb 0.00 -3.17 0.11 0.00 2.01 0.00 0.00 34.83 33.79 1aa4 s MET 163 CO 0.00 0.41 0.77 0.27 -0.01 0.00 0.00 175.02 176.47 1aa4 n ASN 164 N 3.10 1.00 -0.30 3.03 0.23 -1.26 -4.17 115.26 116.89 1aa4 n ASN 164 Ca -0.17 -1.85 -0.05 0.00 -0.53 0.00 0.00 54.58 51.98 1aa4 n ASN 164 Cb 0.53 -0.50 0.09 0.00 -2.08 0.00 0.00 39.78 37.81 1aa4 n ASN 164 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1aa4 h ASP 165 N -0.49 1.09 -0.41 0.53 3.32 -1.99 -0.53 116.42 117.95 1aa4 h ASP 165 Ca -0.26 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 56.63 1aa4 h ASP 165 Cb 0.93 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 1aa4 h ASP 165 CO 0.27 0.93 0.15 -0.09 -1.72 0.00 0.00 179.24 178.78 1aa4 h ARG 166 N 1.19 0.61 -0.16 3.56 2.43 -1.96 -0.90 114.38 119.14 1aa4 h ARG 166 Ca 0.28 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1aa4 h ARG 166 Cb 0.14 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1aa4 h ARG 166 CO -0.03 0.59 0.08 0.93 -1.51 0.00 0.00 179.97 180.02 1aa4 h GLU 167 N 0.51 0.23 -0.41 0.20 5.08 -1.77 -1.33 114.58 117.09 1aa4 h GLU 167 Ca 0.13 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 1aa4 h GLU 167 Cb 0.21 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 1aa4 h GLU 167 CO -0.01 0.25 0.17 0.28 -1.00 0.00 0.00 179.01 178.70 1aa4 h VAL 168 N 0.14 0.92 -0.52 3.13 2.07 -0.99 -0.71 116.25 120.29 1aa4 h VAL 168 Ca 0.06 -0.12 -0.12 0.00 0.82 0.00 0.00 66.70 67.33 1aa4 h VAL 168 Cb 0.10 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1aa4 h VAL 168 CO -0.01 0.06 -0.15 0.58 0.02 0.00 0.00 177.57 178.08 1aa4 h VAL 169 N 0.35 1.27 0.09 2.57 2.07 -1.00 -1.50 116.25 120.10 1aa4 h VAL 169 Ca 0.18 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.39 1aa4 h VAL 169 Cb 0.14 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1aa4 h VAL 169 CO -0.16 0.46 -0.04 0.00 0.02 0.00 0.00 177.57 177.84 1aa4 h ALA 170 N 0.92 -0.12 -0.64 1.67 0.00 -1.11 -3.08 119.26 116.91 1aa4 h ALA 170 Ca 0.13 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.08 1aa4 h ALA 170 Cb 0.72 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 1aa4 h ALA 170 CO 0.06 -0.52 0.21 -0.07 0.00 0.00 0.00 179.25 178.93 1aa4 h LEU 171 N -0.22 0.17 -2.72 0.00 4.07 -1.04 -2.56 115.31 113.01 1aa4 h LEU 171 Ca -0.01 0.09 -0.00 0.00 0.08 0.00 0.00 57.88 58.04 1aa4 h LEU 171 Cb 0.18 0.09 -0.00 0.00 1.08 0.00 0.00 40.66 42.01 1aa4 h LEU 171 CO 0.02 0.09 -0.01 -0.03 -1.08 0.00 0.00 178.44 177.44 1aa4 h MET 172 N 0.37 0.00 -0.07 1.13 4.05 -1.19 -2.39 114.93 116.84 1aa4 h MET 172 Ca 0.33 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.77 1aa4 h MET 172 Cb 0.45 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.25 1aa4 h MET 172 CO -0.35 0.01 0.23 0.78 0.23 0.00 0.00 176.91 177.80 1aa4 h GLY 173 N 0.10 0.00 2.00 1.39 0.00 -1.39 -0.74 103.07 104.43 1aa4 h GLY 173 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1aa4 h GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1aa4 h ALA 174 N 1.61 1.00 0.00 3.60 0.00 -1.62 -2.64 119.26 121.20 1aa4 h ALA 174 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1aa4 h ALA 174 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1aa4 h ALA 174 CO -0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 1aa4 n HIS 175 N -2.80 0.00 0.27 0.00 8.25 -0.29 -1.60 115.22 119.06 1aa4 n HIS 175 Ca -0.01 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.59 1aa4 n HIS 175 Cb 0.17 -0.19 0.77 0.00 1.12 0.00 0.00 29.99 31.87 1aa4 n HIS 175 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1aa4 h ALA 176 N 2.71 1.26 -2.68 -1.41 0.00 -1.70 -3.42 119.26 114.02 1aa4 h ALA 176 Ca 0.00 -0.09 -0.51 0.00 0.00 0.00 0.00 54.91 54.32 1aa4 h ALA 176 Cb 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1aa4 h ALA 176 CO 0.00 0.12 0.25 -0.51 0.00 0.00 0.00 179.25 179.11 1aa4 s LEU 177 N -7.13 4.56 0.00 0.00 1.43 -0.63 -4.35 118.68 112.55 1aa4 s LEU 177 Ca -0.03 1.75 0.00 0.00 -1.03 0.00 0.00 54.13 54.82 1aa4 s LEU 177 Cb 0.13 -3.51 0.00 0.00 0.03 0.00 0.00 46.19 42.83 1aa4 s LEU 177 CO 0.57 0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.90 1aa4 n GLY 178 N 1.35 2.48 3.74 -3.19 0.00 0.70 -4.94 105.19 105.33 1aa4 n GLY 178 Ca -0.03 -0.47 -0.04 0.00 0.00 0.00 0.00 46.02 45.48 1aa4 n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aa4 s LYS 179 N 0.00 1.18 0.18 1.61 -2.85 -1.26 -4.44 119.74 114.16 1aa4 s LYS 179 Ca 0.00 -0.64 -0.13 0.00 -1.00 0.00 0.00 55.97 54.20 1aa4 s LYS 179 Cb 0.00 0.41 -0.07 0.00 -2.06 0.00 0.00 37.83 36.11 1aa4 s LYS 179 CO 0.00 -0.54 0.55 0.95 0.10 0.00 0.00 175.35 176.41 1aa4 s THR 180 N -3.28 4.88 -0.18 3.79 -4.23 -0.18 -4.95 115.64 111.50 1aa4 s THR 180 Ca 0.12 0.71 0.01 0.00 -1.18 0.00 0.00 61.69 61.35 1aa4 s THR 180 Cb -0.01 -3.69 0.02 0.00 1.34 0.00 0.00 72.50 70.16 1aa4 s THR 180 CO 0.02 0.13 -0.19 -1.00 -0.54 0.00 0.00 174.62 173.04 1aa4 s HIS 181 N -1.59 2.68 0.27 3.99 0.09 -1.13 -2.39 115.29 117.22 1aa4 s HIS 181 Ca 0.41 -1.58 0.01 0.00 -0.00 0.00 0.00 55.06 53.89 1aa4 s HIS 181 Cb -0.14 -1.86 0.57 0.00 -0.00 0.00 0.00 32.58 31.15 1aa4 s HIS 181 CO 0.20 -0.79 1.78 1.25 -0.00 0.00 0.00 174.74 177.18 1aa4 h LEU 182 N 7.96 0.65 -0.52 0.89 5.85 -1.60 -0.52 115.31 128.01 1aa4 h LEU 182 Ca -0.44 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1aa4 h LEU 182 Cb 1.14 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1aa4 h LEU 182 CO 0.62 0.28 0.00 0.50 -0.34 0.00 0.00 178.44 179.50 1aa4 h LYS 183 N 0.72 0.00 0.06 1.25 3.64 -1.96 0.61 116.57 120.89 1aa4 h LYS 183 Ca 0.49 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.58 1aa4 h LYS 183 Cb 0.67 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 1aa4 h LYS 183 CO -0.35 0.00 -1.55 -0.91 -2.27 0.00 0.00 179.45 174.38 1aa4 h ASN 184 N 0.00 0.20 0.00 4.20 2.35 -1.46 -3.45 115.58 117.42 1aa4 h ASN 184 Ca 0.00 -0.72 0.00 0.00 -0.55 0.00 0.00 56.30 55.03 1aa4 h ASN 184 Cb 0.55 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.85 1aa4 h ASN 184 CO 0.00 1.64 0.00 -1.54 -1.65 0.00 0.00 177.43 175.88 1aa4 n SER 185 N -4.02 0.23 0.00 5.81 3.41 -0.69 -4.76 113.62 113.60 1aa4 n SER 185 Ca -0.31 -0.58 0.00 0.00 -0.26 0.00 0.00 58.87 57.72 1aa4 n SER 185 Cb 0.84 0.59 0.00 0.00 -0.26 0.00 0.00 64.21 65.39 1aa4 n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aa4 n GLY 186 N 0.59 0.43 3.14 5.00 0.00 0.20 -5.02 105.19 109.54 1aa4 n GLY 186 Ca 0.00 -0.81 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 1aa4 n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aa4 s TYR 187 N -2.00 1.16 -0.01 1.61 2.02 -1.26 -4.55 117.35 114.31 1aa4 s TYR 187 Ca 0.00 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.31 1aa4 s TYR 187 Cb 0.00 -0.68 0.01 0.00 -0.40 0.00 0.00 41.96 40.90 1aa4 s TYR 187 CO 0.00 0.03 -0.01 -2.00 -1.57 0.00 0.00 175.55 172.01 1aa4 s GLU 188 N -1.36 0.20 0.00 -0.62 2.56 -1.26 -1.41 118.70 116.81 1aa4 s GLU 188 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.97 54.97 1aa4 s GLU 188 Cb -0.09 -0.29 0.00 0.00 2.00 0.00 0.00 34.13 35.76 1aa4 s GLU 188 CO 0.02 -0.04 0.00 0.41 -0.56 0.00 0.00 175.26 175.08 1aa4 n GLY 189 N 3.54 3.05 3.96 -1.50 0.00 -1.00 -4.85 105.19 108.40 1aa4 n GLY 189 Ca -0.19 -2.00 -0.22 0.00 0.00 0.00 0.00 46.02 43.61 1aa4 n GLY 189 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1aa4 s PRO 190 N -2.53 2.59 0.00 1.61 0.04 -1.26 -1.01 135.00 134.44 1aa4 s PRO 190 Ca 0.00 -0.67 0.16 0.00 0.04 0.00 0.00 61.00 60.53 1aa4 s PRO 190 Cb 0.00 -2.46 0.43 0.00 0.04 0.00 0.00 34.50 32.51 1aa4 s PRO 190 CO 0.00 -0.71 1.35 0.41 0.04 0.00 0.00 177.00 178.10 1aa4 n GLY 191 N -2.37 2.50 0.00 0.56 0.00 -1.26 -0.82 105.19 103.80 1aa4 n GLY 191 Ca 0.07 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1aa4 n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aa4 n GLY 192 N 0.99 -0.47 0.10 -0.02 0.00 -1.26 -4.76 105.19 99.78 1aa4 n GLY 192 Ca 0.17 -1.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.00 1aa4 n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aa4 h ALA 193 N 0.00 -0.06 -0.98 4.61 0.00 -1.96 -3.40 119.26 117.47 1aa4 h ALA 193 Ca 0.00 -0.64 -0.73 0.00 0.00 0.00 0.00 54.91 53.54 1aa4 h ALA 193 Cb 0.00 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 17.73 1aa4 h ALA 193 CO 0.00 0.28 2.05 0.00 0.00 0.00 0.00 179.25 181.58 1aa4 n ALA 194 N -2.65 4.65 -0.30 0.00 0.00 -1.26 -4.83 120.51 116.11 1aa4 n ALA 194 Ca -0.13 -4.14 0.07 0.00 0.00 0.00 0.00 53.44 49.24 1aa4 n ALA 194 Cb 0.73 -3.21 0.31 0.00 0.00 0.00 0.00 19.45 17.28 1aa4 n ALA 194 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1aa4 n ASN 195 N 5.54 4.23 -1.03 0.00 2.04 -1.26 -3.74 115.26 121.05 1aa4 n ASN 195 Ca 0.43 -2.46 0.03 0.00 -0.44 0.00 0.00 54.58 52.14 1aa4 n ASN 195 Cb 0.40 -0.56 0.04 0.00 -2.53 0.00 0.00 39.78 37.14 1aa4 n ASN 195 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1aa4 n ASN 196 N 0.81 0.85 -4.11 0.53 0.23 -1.26 -0.21 115.26 112.10 1aa4 n ASN 196 Ca 0.22 -2.26 -0.28 0.00 -0.53 0.00 0.00 54.58 51.72 1aa4 n ASN 196 Cb 0.82 -0.30 -0.17 0.00 -2.08 0.00 0.00 39.78 38.05 1aa4 n ASN 196 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1aa4 s VAL 197 N -0.50 1.58 -0.45 3.53 1.01 -1.24 -4.79 120.40 119.54 1aa4 s VAL 197 Ca 0.24 -0.73 -0.28 0.00 0.00 0.00 0.00 61.98 61.21 1aa4 s VAL 197 Cb 0.27 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 35.25 1aa4 s VAL 197 CO -0.10 0.45 1.48 0.12 0.00 0.00 0.00 175.10 177.05 1aa4 s PHE 198 N 0.59 2.27 0.39 5.22 2.19 0.35 -4.89 117.98 124.09 1aa4 s PHE 198 Ca -0.15 0.63 0.06 0.00 0.33 0.00 0.00 56.93 57.79 1aa4 s PHE 198 Cb -0.17 -4.30 -0.02 0.00 -1.31 0.00 0.00 43.02 37.22 1aa4 s PHE 198 CO 0.05 -2.11 0.21 0.95 1.83 0.00 0.00 175.22 176.15 1aa4 s THR 199 N 5.91 0.27 -0.77 0.12 -4.23 -1.26 -4.57 115.64 111.11 1aa4 s THR 199 Ca 0.62 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.21 1aa4 s THR 199 Cb -0.14 -2.38 0.44 0.00 1.34 0.00 0.00 72.50 71.77 1aa4 s THR 199 CO 0.31 0.00 1.20 -0.46 -0.54 0.00 0.00 174.62 175.13 1aa4 n ASN 200 N -1.53 3.43 -0.09 3.99 6.94 -1.26 -4.54 115.26 122.20 1aa4 n ASN 200 Ca 0.00 -2.45 0.24 0.00 -0.02 0.00 0.00 54.58 52.36 1aa4 n ASN 200 Cb 0.63 -0.56 0.71 0.00 -2.36 0.00 0.00 39.78 38.20 1aa4 n ASN 200 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1aa4 h GLU 201 N 2.23 0.00 -0.95 -3.83 4.81 -1.94 -1.75 114.58 113.15 1aa4 h GLU 201 Ca 0.00 -0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1aa4 h GLU 201 Cb 1.22 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.53 1aa4 h GLU 201 CO 0.24 0.00 0.60 0.35 -0.73 0.00 0.00 179.01 179.47 1aa4 h PHE 202 N 0.00 1.12 -0.12 0.92 3.57 -1.84 0.03 116.94 120.61 1aa4 h PHE 202 Ca 0.33 0.03 -0.22 0.00 3.53 0.00 0.00 57.97 61.64 1aa4 h PHE 202 Cb 1.34 -0.36 0.01 0.00 2.79 0.00 0.00 35.95 39.73 1aa4 h PHE 202 CO -0.00 0.55 -0.79 1.88 -2.23 0.00 0.00 178.31 177.72 1aa4 h TYR 203 N 1.08 1.03 -0.52 0.41 0.05 -1.68 -2.20 116.97 115.15 1aa4 h TYR 203 Ca 0.42 -0.48 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 1aa4 h TYR 203 Cb 0.21 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 1aa4 h TYR 203 CO -0.01 1.31 0.25 -0.07 -1.05 0.00 0.00 178.16 178.58 1aa4 h LEU 204 N 0.47 0.68 -0.45 3.88 3.38 -1.29 -2.59 115.31 119.38 1aa4 h LEU 204 Ca -0.06 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.62 1aa4 h LEU 204 Cb 1.43 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1aa4 h LEU 204 CO 0.16 0.62 -0.36 0.78 0.09 0.00 0.00 178.44 179.73 1aa4 h ASN 205 N 0.69 0.95 -0.48 -0.43 2.35 -1.02 0.82 115.58 118.47 1aa4 h ASN 205 Ca 0.18 -0.42 0.03 0.00 -0.55 0.00 0.00 56.30 55.53 1aa4 h ASN 205 Cb 0.12 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 1aa4 h ASN 205 CO -0.02 1.20 0.28 0.25 -1.65 0.00 0.00 177.43 177.49 1aa4 h LEU 206 N 0.74 0.44 -0.11 1.61 5.85 -1.35 -0.72 115.31 121.77 1aa4 h LEU 206 Ca 0.07 0.01 -0.20 0.00 0.84 0.00 0.00 57.88 58.60 1aa4 h LEU 206 Cb 0.94 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 1aa4 h LEU 206 CO 0.09 0.31 -0.95 -0.07 -0.34 0.00 0.00 178.44 177.48 1aa4 h LEU 207 N 0.55 0.00 0.00 2.25 3.38 -1.35 -3.39 115.31 116.75 1aa4 h LEU 207 Ca 0.20 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1aa4 h LEU 207 Cb 0.04 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1aa4 h LEU 207 CO -0.10 0.95 -0.79 0.59 0.09 0.00 0.00 178.44 179.17 1aa4 n ASN 208 N -3.42 0.77 -4.92 -0.43 5.03 0.27 -4.99 115.26 107.58 1aa4 n ASN 208 Ca -0.00 -0.83 -0.26 0.00 0.87 0.00 0.00 54.58 54.36 1aa4 n ASN 208 Cb 0.89 1.03 0.00 0.00 -1.02 0.00 0.00 39.78 40.69 1aa4 n ASN 208 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1aa4 s GLU 209 N -2.52 3.36 -0.77 3.52 0.41 -0.29 -5.02 118.70 117.38 1aa4 s GLU 209 Ca 0.05 -0.04 -0.19 0.00 -0.41 0.00 0.00 54.97 54.38 1aa4 s GLU 209 Cb 0.12 -2.44 0.12 0.00 -1.78 0.00 0.00 34.13 30.15 1aa4 s GLU 209 CO 0.65 -0.23 0.94 0.34 -0.49 0.00 0.00 175.26 176.47 1aa4 s ASP 210 N -4.14 6.42 0.18 -0.19 2.15 -1.26 -4.98 116.67 114.85 1aa4 s ASP 210 Ca 0.47 -1.72 -0.20 0.00 0.43 0.00 0.00 52.55 51.53 1aa4 s ASP 210 Cb -0.10 -2.36 -0.08 0.00 -0.30 0.00 0.00 42.92 40.08 1aa4 s ASP 210 CO 0.42 -1.11 0.69 0.26 -0.17 0.00 0.00 175.17 175.26 1aa4 s TRP 211 N 2.72 3.73 -0.11 -5.34 0.52 -1.26 -4.16 118.94 115.04 1aa4 s TRP 211 Ca 0.23 1.39 -0.00 0.00 0.02 0.00 0.00 56.10 57.74 1aa4 s TRP 211 Cb -0.13 -2.61 0.02 0.00 -1.15 0.00 0.00 33.47 29.60 1aa4 s TRP 211 CO -0.01 0.43 -0.09 0.21 0.02 0.00 0.00 176.95 177.51 1aa4 s LYS 212 N -1.64 1.61 -0.51 4.98 2.20 0.73 -4.91 119.74 122.21 1aa4 s LYS 212 Ca 0.38 -0.30 -0.28 0.00 -0.36 0.00 0.00 55.97 55.42 1aa4 s LYS 212 Cb -0.18 -1.60 0.00 0.00 -1.51 0.00 0.00 37.83 34.53 1aa4 s LYS 212 CO 0.22 -0.23 1.57 -1.17 -0.36 0.00 0.00 175.35 175.38 1aa4 s LEU 213 N 1.56 3.42 0.40 5.43 2.96 -1.26 -0.65 118.68 130.54 1aa4 s LEU 213 Ca 0.02 0.55 0.07 0.00 -0.22 0.00 0.00 54.13 54.56 1aa4 s LEU 213 Cb -0.13 -3.10 -0.07 0.00 0.50 0.00 0.00 46.19 43.39 1aa4 s LEU 213 CO -0.07 -1.80 0.03 -1.61 -1.32 0.00 0.00 176.35 171.58 1aa4 s GLU 214 N 5.75 2.00 -0.15 1.98 2.02 -0.31 -4.95 118.70 125.04 1aa4 s GLU 214 Ca 0.61 -2.04 -0.04 0.00 0.02 0.00 0.00 54.97 53.52 1aa4 s GLU 214 Cb -0.14 -1.71 -0.03 0.00 0.10 0.00 0.00 34.13 32.35 1aa4 s GLU 214 CO 0.27 -0.04 -0.00 0.21 0.02 0.00 0.00 175.26 175.71 1aa4 s LYS 215 N -3.74 3.66 0.74 1.61 2.20 -1.26 -1.40 119.74 121.56 1aa4 s LYS 215 Ca 0.36 -0.45 -0.04 0.00 -0.36 0.00 0.00 55.97 55.48 1aa4 s LYS 215 Cb 0.08 -2.98 0.12 0.00 -1.51 0.00 0.00 37.83 33.54 1aa4 s LYS 215 CO 0.19 0.32 1.02 0.54 -0.36 0.00 0.00 175.35 177.06 1aa4 s ASN 216 N 0.18 4.31 0.58 1.43 2.20 0.05 -4.92 114.94 118.77 1aa4 s ASN 216 Ca 0.00 -0.13 0.39 0.00 -0.94 0.00 0.00 52.86 52.18 1aa4 s ASN 216 Cb -0.13 -0.28 2.06 0.00 -2.00 0.00 0.00 41.25 40.90 1aa4 s ASN 216 CO 0.02 -1.89 2.19 0.44 -2.94 0.00 0.00 177.10 174.92 1aa4 h ASP 217 N -0.64 0.00 -0.27 3.54 3.32 -1.93 0.17 116.42 120.61 1aa4 h ASP 217 Ca -0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1aa4 h ASP 217 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1aa4 h ASP 217 CO 0.44 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.96 1aa4 n ALA 218 N -2.02 2.48 -2.09 3.45 0.00 -1.26 -4.91 120.51 116.16 1aa4 n ALA 218 Ca -0.02 -0.60 -0.13 0.00 0.00 0.00 0.00 53.44 52.69 1aa4 n ALA 218 Cb 0.09 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.50 1aa4 n ALA 218 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1aa4 n ASN 219 N 0.48 -4.08 -4.82 0.00 3.02 0.60 -5.03 115.26 105.44 1aa4 n ASN 219 Ca 0.15 0.05 -0.33 0.00 -0.03 0.00 0.00 54.58 54.42 1aa4 n ASN 219 Cb 0.33 -3.17 -0.06 0.00 -0.61 0.00 0.00 39.78 36.27 1aa4 n ASN 219 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1aa4 s ASN 220 N -2.51 5.85 0.22 6.41 0.02 -1.25 -4.84 114.94 118.84 1aa4 s ASN 220 Ca 0.00 0.18 -0.26 0.00 -1.02 0.00 0.00 52.86 51.76 1aa4 s ASN 220 Cb 0.00 -1.71 -0.09 0.00 0.02 0.00 0.00 41.25 39.47 1aa4 s ASN 220 CO 0.00 0.25 0.83 -1.61 0.02 0.00 0.00 177.10 176.60 1aa4 s GLU 221 N -1.91 4.59 0.06 -0.60 2.02 -1.26 -0.77 118.70 120.83 1aa4 s GLU 221 Ca 0.25 1.22 -0.13 0.00 0.02 0.00 0.00 54.97 56.33 1aa4 s GLU 221 Cb -0.12 -3.13 0.02 0.00 0.10 0.00 0.00 34.13 31.00 1aa4 s GLU 221 CO 0.17 0.48 0.29 1.14 0.02 0.00 0.00 175.26 177.36 1aa4 s GLN 222 N -1.44 0.84 -0.32 1.61 -2.07 -0.49 -4.63 119.66 113.15 1aa4 s GLN 222 Ca 0.41 -0.60 -0.25 0.00 -1.82 0.00 0.00 55.36 53.10 1aa4 s GLN 222 Cb -0.22 0.36 0.01 0.00 -1.09 0.00 0.00 33.01 32.07 1aa4 s GLN 222 CO 0.26 -0.27 0.87 -1.58 -1.32 0.00 0.00 175.29 173.25 1aa4 s TRP 223 N -2.88 3.17 -0.04 9.60 0.52 -0.54 -1.16 118.94 127.62 1aa4 s TRP 223 Ca -0.03 0.87 0.02 0.00 0.02 0.00 0.00 56.10 56.98 1aa4 s TRP 223 Cb 0.00 -3.39 -0.03 0.00 -1.15 0.00 0.00 33.47 28.90 1aa4 s TRP 223 CO -0.05 -0.66 -0.08 -0.51 0.02 0.00 0.00 176.95 175.68 1aa4 s ASP 224 N 1.67 4.58 0.26 2.95 1.01 0.18 -0.42 116.67 126.90 1aa4 s ASP 224 Ca 0.36 -0.09 0.10 0.00 0.71 0.00 0.00 52.55 53.63 1aa4 s ASP 224 Cb -0.13 -1.10 -0.04 0.00 1.01 0.00 0.00 42.92 42.65 1aa4 s ASP 224 CO 0.14 0.33 -0.07 -0.94 0.21 0.00 0.00 175.17 174.84 1aa4 s SER 225 N -1.06 4.23 0.34 0.27 1.04 -0.58 -0.19 113.70 117.75 1aa4 s SER 225 Ca 0.14 -0.75 0.09 0.00 0.48 0.00 0.00 55.95 55.91 1aa4 s SER 225 Cb -0.11 -0.67 0.81 0.00 0.10 0.00 0.00 66.02 66.15 1aa4 s SER 225 CO 0.04 0.03 1.84 0.11 0.98 0.00 0.00 173.24 176.24 1aa4 h LYS 226 N 2.13 0.68 0.00 4.02 6.56 -1.90 -1.11 116.57 126.96 1aa4 h LYS 226 Ca -0.43 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.12 1aa4 h LYS 226 Cb 1.25 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 32.75 1aa4 h LYS 226 CO 0.59 0.45 0.00 0.43 -2.06 0.00 0.00 179.45 178.87 1aa4 n SER 227 N -4.60 0.00 0.00 0.86 7.64 -1.26 -4.84 113.62 111.42 1aa4 n SER 227 Ca 0.19 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.34 1aa4 n SER 227 Cb 0.51 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1aa4 n SER 227 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1aa4 n GLY 228 N -0.48 0.88 3.97 0.23 0.00 -0.42 -5.09 105.19 104.28 1aa4 n GLY 228 Ca 0.04 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 1aa4 n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aa4 s TYR 229 N -2.00 3.27 0.04 1.61 2.02 -1.25 -4.53 117.35 116.50 1aa4 s TYR 229 Ca 0.00 0.07 -0.00 0.00 -0.37 0.00 0.00 57.07 56.77 1aa4 s TYR 229 Cb 0.00 -2.03 -0.03 0.00 -0.40 0.00 0.00 41.96 39.50 1aa4 s TYR 229 CO 0.00 -0.05 -0.04 0.00 -1.57 0.00 0.00 175.55 173.90 1aa4 s MET 230 N -4.31 0.47 0.00 -0.62 0.23 -0.00 -1.53 119.30 113.55 1aa4 s MET 230 Ca 0.44 -0.90 0.03 0.00 -1.03 0.00 0.00 55.69 54.23 1aa4 s MET 230 Cb -0.10 0.10 -0.01 0.00 -1.53 0.00 0.00 34.83 33.29 1aa4 s MET 230 CO 0.34 -0.06 -0.10 -1.64 -2.03 0.00 0.00 175.02 171.53 1aa4 s MET 231 N -2.56 0.77 0.72 3.16 -1.94 0.44 -4.21 119.30 115.67 1aa4 s MET 231 Ca -0.05 -0.42 -0.12 0.00 -1.71 0.00 0.00 55.69 53.38 1aa4 s MET 231 Cb -0.02 -0.73 0.03 0.00 2.01 0.00 0.00 34.83 36.11 1aa4 s MET 231 CO -0.05 0.19 1.09 -0.51 -0.01 0.00 0.00 175.02 175.74 1aa4 s LEU 232 N -0.45 3.19 0.19 -0.03 1.43 -1.26 -1.47 118.68 120.28 1aa4 s LEU 232 Ca 0.02 1.85 -0.12 0.00 -1.03 0.00 0.00 54.13 54.85 1aa4 s LEU 232 Cb -0.05 -4.53 0.21 0.00 0.03 0.00 0.00 46.19 41.86 1aa4 s LEU 232 CO -0.00 -1.77 1.71 -0.65 0.23 0.00 0.00 176.35 175.87 1aa4 h PRO 233 N -0.61 0.23 0.00 1.29 0.11 -1.82 -1.03 132.00 130.17 1aa4 h PRO 233 Ca -0.45 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1aa4 h PRO 233 Cb 1.23 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1aa4 h PRO 233 CO 0.53 0.15 -0.14 1.79 -0.21 0.00 0.00 178.00 180.13 1aa4 h THR 234 N 0.23 0.82 -0.26 -1.15 1.35 -1.28 -1.93 112.91 110.69 1aa4 h THR 234 Ca 0.26 -0.52 -0.11 0.00 -0.55 0.00 0.00 66.41 65.48 1aa4 h THR 234 Cb 0.36 1.31 -0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1aa4 h THR 234 CO -0.35 0.13 -0.28 0.44 -0.25 0.00 0.00 175.52 175.21 1aa4 h ASP 235 N 0.00 0.70 0.48 5.36 3.32 -1.53 -3.25 116.42 121.50 1aa4 h ASP 235 Ca -0.00 -0.48 -0.07 0.00 0.02 0.00 0.00 57.03 56.50 1aa4 h ASP 235 Cb 0.30 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1aa4 h ASP 235 CO 0.02 1.04 -0.34 0.22 -1.72 0.00 0.00 179.24 178.46 1aa4 h TYR 236 N 0.37 0.00 -1.45 4.55 3.20 -1.04 -2.80 116.97 119.80 1aa4 h TYR 236 Ca 0.04 0.00 0.45 0.00 3.14 0.00 0.00 58.73 62.36 1aa4 h TYR 236 Cb 0.85 0.00 -0.11 0.00 1.54 0.00 0.00 36.73 39.02 1aa4 h TYR 236 CO 0.08 0.34 0.98 0.77 -1.64 0.00 0.00 178.16 178.68 1aa4 h SER 237 N 0.00 0.17 0.65 -2.11 0.02 -1.39 -1.57 113.55 109.32 1aa4 h SER 237 Ca -0.00 0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 1aa4 h SER 237 Cb 0.67 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 1aa4 h SER 237 CO 0.04 -0.11 -0.25 -0.07 -1.14 0.00 0.00 176.83 175.30 1aa4 h LEU 238 N 0.07 0.00 -0.35 5.07 3.38 -1.64 -1.52 115.31 120.32 1aa4 h LEU 238 Ca 0.81 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.78 1aa4 h LEU 238 Cb 2.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.54 1aa4 h LEU 238 CO -0.28 0.25 -0.65 2.30 0.09 0.00 0.00 178.44 180.15 1aa4 n ILE 239 N -3.60 0.00 0.16 1.22 -5.35 -0.60 -1.36 119.36 109.83 1aa4 n ILE 239 Ca -0.01 -0.09 0.07 0.00 -0.27 0.00 0.00 62.75 62.45 1aa4 n ILE 239 Cb 0.38 0.83 0.07 0.00 -1.74 0.00 0.00 39.64 39.19 1aa4 n ILE 239 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1aa4 h GLN 240 N 0.85 0.00 -5.58 6.28 4.20 -1.18 -3.45 115.11 116.24 1aa4 h GLN 240 Ca 0.00 0.00 -0.62 0.00 0.06 0.00 0.00 58.65 58.09 1aa4 h GLN 240 Cb 0.57 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.26 1aa4 h GLN 240 CO 0.00 0.24 -0.38 0.34 -0.67 0.00 0.00 178.83 178.36 1aa4 s ASP 241 N -6.22 6.44 0.24 1.46 -1.08 -0.90 -5.02 116.67 111.60 1aa4 s ASP 241 Ca 0.04 0.52 -0.04 0.00 -0.52 0.00 0.00 52.55 52.55 1aa4 s ASP 241 Cb 0.07 -2.14 0.27 0.00 -1.46 0.00 0.00 42.92 39.66 1aa4 s ASP 241 CO 0.72 0.24 1.77 1.55 0.52 0.00 0.00 175.17 179.97 1aa4 h PRO 242 N 5.86 0.95 0.03 4.34 0.13 -1.90 0.15 132.00 141.56 1aa4 h PRO 242 Ca -0.47 -0.22 -0.00 0.00 -0.87 0.00 0.00 66.00 64.44 1aa4 h PRO 242 Cb 1.19 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1aa4 h PRO 242 CO 0.68 0.86 -0.01 0.87 -0.23 0.00 0.00 178.00 180.17 1aa4 h LYS 243 N 0.90 -0.04 -0.10 0.86 1.57 -1.95 -2.92 116.57 114.90 1aa4 h LYS 243 Ca 0.19 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.99 1aa4 h LYS 243 Cb 0.36 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1aa4 h LYS 243 CO 0.00 0.31 -0.02 1.88 -0.57 0.00 0.00 179.45 181.05 1aa4 h TYR 244 N -0.39 -0.04 -0.75 -1.35 0.05 -1.80 -3.03 116.97 109.65 1aa4 h TYR 244 Ca -0.00 0.01 0.12 0.00 0.05 0.00 0.00 58.73 58.90 1aa4 h TYR 244 Cb 0.37 0.03 -0.08 0.00 1.01 0.00 0.00 36.73 38.06 1aa4 h TYR 244 CO 0.04 -0.03 0.35 1.25 -1.05 0.00 0.00 178.16 178.72 1aa4 h LEU 245 N 0.01 0.41 -0.97 3.88 5.85 0.32 -1.32 115.31 123.50 1aa4 h LEU 245 Ca 0.05 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1aa4 h LEU 245 Cb 0.07 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1aa4 h LEU 245 CO -0.10 0.20 0.00 0.77 -0.34 0.00 0.00 178.44 178.98 1aa4 h SER 246 N 0.55 0.00 0.22 1.25 4.64 -1.40 -1.77 113.55 117.06 1aa4 h SER 246 Ca 0.39 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.43 1aa4 h SER 246 Cb 0.50 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.62 1aa4 h SER 246 CO -0.33 0.00 -1.18 0.40 -0.87 0.00 0.00 176.83 174.85 1aa4 h ILE 247 N 0.00 1.33 -0.60 0.95 2.04 -1.25 -2.66 117.51 117.33 1aa4 h ILE 247 Ca 0.00 -2.52 0.11 0.00 1.00 0.00 0.00 64.86 63.45 1aa4 h ILE 247 Cb 0.63 2.65 -0.08 0.00 -0.74 0.00 0.00 36.82 39.27 1aa4 h ILE 247 CO 0.00 0.76 0.14 0.58 0.00 0.00 0.00 178.15 179.63 1aa4 h VAL 248 N 0.25 0.67 -0.47 1.67 2.07 -0.98 -0.84 116.25 118.62 1aa4 h VAL 248 Ca -0.16 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 1aa4 h VAL 248 Cb 1.84 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 1aa4 h VAL 248 CO 0.22 0.05 0.13 0.11 0.02 0.00 0.00 177.57 178.10 1aa4 h LYS 249 N 0.28 0.70 -0.63 1.57 1.57 -1.36 -0.25 116.57 118.46 1aa4 h LYS 249 Ca 0.31 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1aa4 h LYS 249 Cb 0.45 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1aa4 h LYS 249 CO -0.38 0.62 0.17 1.49 -0.57 0.00 0.00 179.45 180.78 1aa4 h GLU 250 N 0.68 0.99 0.00 3.15 4.81 -0.82 -1.84 114.58 121.55 1aa4 h GLU 250 Ca 0.16 -0.23 -0.12 0.00 -0.13 0.00 0.00 59.36 59.04 1aa4 h GLU 250 Cb 0.23 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1aa4 h GLU 250 CO -0.01 0.89 -0.58 1.88 -0.73 0.00 0.00 179.01 180.46 1aa4 h TYR 251 N 0.91 0.00 0.00 0.92 0.05 -0.97 -1.85 116.97 116.03 1aa4 h TYR 251 Ca 0.20 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.88 1aa4 h TYR 251 Cb 0.33 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 1aa4 h TYR 251 CO 0.02 0.58 -0.47 0.00 -1.05 0.00 0.00 178.16 177.24 1aa4 h ALA 252 N 1.42 1.10 -0.04 3.88 0.00 -0.98 -3.18 119.26 121.45 1aa4 h ALA 252 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1aa4 h ALA 252 Cb 1.36 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1aa4 h ALA 252 CO 0.08 0.59 0.00 0.09 0.00 0.00 0.00 179.25 180.00 1aa4 n ASN 253 N -3.80 2.04 -3.28 0.00 3.02 -0.70 -4.77 115.26 107.78 1aa4 n ASN 253 Ca -0.01 -1.68 -0.07 0.00 -0.03 0.00 0.00 54.58 52.78 1aa4 n ASN 253 Cb 0.52 -0.02 -0.04 0.00 -0.61 0.00 0.00 39.78 39.63 1aa4 n ASN 253 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1aa4 s ASP 254 N -1.95 -0.27 0.36 6.41 -1.08 -0.71 -5.04 116.67 114.38 1aa4 s ASP 254 Ca 0.35 -0.99 0.07 0.00 -0.52 0.00 0.00 52.55 51.46 1aa4 s ASP 254 Cb 0.21 1.33 0.68 0.00 -1.46 0.00 0.00 42.92 43.67 1aa4 s ASP 254 CO 0.32 -0.23 1.88 0.06 0.52 0.00 0.00 175.17 177.71 1aa4 h GLN 255 N 7.22 0.35 -0.44 4.34 3.07 -1.86 -2.54 115.11 125.25 1aa4 h GLN 255 Ca 0.03 -0.09 -0.04 0.00 0.09 0.00 0.00 58.65 58.65 1aa4 h GLN 255 Cb 1.13 -0.05 -0.02 0.00 0.08 0.00 0.00 27.48 28.62 1aa4 h GLN 255 CO 0.16 0.47 0.14 0.22 0.09 0.00 0.00 178.83 179.91 1aa4 h ASP 256 N 0.33 0.64 -0.27 0.06 3.58 -1.96 0.21 116.42 119.01 1aa4 h ASP 256 Ca 0.07 -0.21 -0.00 0.00 0.42 0.00 0.00 57.03 57.31 1aa4 h ASP 256 Cb 0.40 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 1aa4 h ASP 256 CO 0.02 0.68 0.17 0.50 -2.88 0.00 0.00 179.24 177.73 1aa4 h LYS 257 N 0.58 0.37 -0.17 0.28 1.63 -1.93 -1.15 116.57 116.17 1aa4 h LYS 257 Ca 0.14 -0.03 0.05 0.00 -0.85 0.00 0.00 60.65 59.96 1aa4 h LYS 257 Cb 0.26 -0.08 -0.06 0.00 -0.60 0.00 0.00 32.23 31.75 1aa4 h LYS 257 CO -0.00 0.28 -0.24 0.35 -3.45 0.00 0.00 179.45 176.38 1aa4 h PHE 258 N 0.35 -0.65 -0.67 1.91 3.57 -1.22 -0.31 116.94 119.92 1aa4 h PHE 258 Ca 0.10 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.72 1aa4 h PHE 258 Cb 0.00 0.31 -0.07 0.00 2.79 0.00 0.00 35.95 38.99 1aa4 h PHE 258 CO -0.05 -0.32 0.32 0.74 -2.23 0.00 0.00 178.31 176.77 1aa4 h PHE 259 N -0.29 0.58 -0.32 0.41 -1.00 -0.74 0.78 116.94 116.36 1aa4 h PHE 259 Ca 0.11 0.03 -0.07 0.00 2.81 0.00 0.00 57.97 60.85 1aa4 h PHE 259 Cb 0.46 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 1aa4 h PHE 259 CO -0.36 0.22 -0.09 -0.22 -1.61 0.00 0.00 178.31 176.24 1aa4 h LYS 260 N 0.57 0.62 -0.05 1.51 3.64 -0.97 -2.26 116.57 119.63 1aa4 h LYS 260 Ca 0.32 -0.25 -0.15 0.00 -1.27 0.00 0.00 60.65 59.31 1aa4 h LYS 260 Cb 0.33 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1aa4 h LYS 260 CO -0.25 0.81 -0.63 -0.44 -2.27 0.00 0.00 179.45 176.67 1aa4 h ASP 261 N 0.39 0.23 -0.43 4.20 5.19 -0.87 -2.87 116.42 122.26 1aa4 h ASP 261 Ca 0.08 -0.13 -0.03 0.00 -0.62 0.00 0.00 57.03 56.32 1aa4 h ASP 261 Cb 0.59 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 40.02 1aa4 h ASP 261 CO 0.03 0.79 0.14 0.15 -3.12 0.00 0.00 179.24 177.24 1aa4 h PHE 262 N 0.14 0.67 -0.22 4.55 3.57 -0.68 -2.24 116.94 122.74 1aa4 h PHE 262 Ca -0.01 -0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.48 1aa4 h PHE 262 Cb 1.14 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.63 1aa4 h PHE 262 CO 0.02 0.61 -0.09 1.03 -2.23 0.00 0.00 178.31 177.65 1aa4 h SER 263 N 0.55 -0.29 -0.52 0.41 0.87 -1.41 0.19 113.55 113.35 1aa4 h SER 263 Ca 0.14 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 1aa4 h SER 263 Cb 0.24 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 1aa4 h SER 263 CO -0.01 -0.11 0.26 0.11 -0.53 0.00 0.00 176.83 176.55 1aa4 h LYS 264 N -0.05 0.74 0.00 2.24 1.57 -1.48 -2.46 116.57 117.14 1aa4 h LYS 264 Ca 0.11 -0.10 -0.13 0.00 -1.87 0.00 0.00 60.65 58.66 1aa4 h LYS 264 Cb 0.22 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1aa4 h LYS 264 CO -0.25 0.61 -0.60 0.00 -0.57 0.00 0.00 179.45 178.63 1aa4 h ALA 265 N 1.10 0.82 -0.09 3.86 0.00 -1.04 -2.20 119.26 121.71 1aa4 h ALA 265 Ca 0.18 -0.55 -0.24 0.00 0.00 0.00 0.00 54.91 54.31 1aa4 h ALA 265 Cb 0.10 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1aa4 h ALA 265 CO -0.02 0.75 -0.88 0.35 0.00 0.00 0.00 179.25 179.45 1aa4 h PHE 266 N 0.00 1.02 -0.11 0.00 3.57 -0.63 -0.98 116.94 119.79 1aa4 h PHE 266 Ca -0.01 -0.49 -0.01 0.00 3.53 0.00 0.00 57.97 61.00 1aa4 h PHE 266 Cb 1.21 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 1aa4 h PHE 266 CO 0.00 1.32 0.05 1.49 -2.23 0.00 0.00 178.31 178.94 1aa4 h GLU 267 N 0.46 0.17 -0.63 1.11 4.81 -1.45 -1.50 114.58 117.55 1aa4 h GLU 267 Ca -0.08 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.18 1aa4 h GLU 267 Cb 1.51 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.81 1aa4 h GLU 267 CO 0.17 0.27 0.33 -0.22 -0.73 0.00 0.00 179.01 178.83 1aa4 h LYS 268 N 0.04 0.60 -0.56 1.92 3.64 -1.42 -0.29 116.57 120.48 1aa4 h LYS 268 Ca 0.04 -0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 1aa4 h LYS 268 Cb 0.16 -0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 31.76 1aa4 h LYS 268 CO -0.00 0.39 0.12 1.25 -2.27 0.00 0.00 179.45 178.94 1aa4 h LEU 269 N 0.61 0.01 -0.79 5.20 5.85 -0.90 -0.53 115.31 124.76 1aa4 h LEU 269 Ca 0.29 0.10 -0.05 0.00 0.84 0.00 0.00 57.88 59.05 1aa4 h LEU 269 Cb 0.20 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1aa4 h LEU 269 CO -0.19 0.02 -0.25 -0.07 -0.34 0.00 0.00 178.44 177.61 1aa4 h LEU 270 N 0.26 0.00 0.00 2.25 3.38 -0.44 -3.26 115.31 117.50 1aa4 h LEU 270 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1aa4 h LEU 270 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1aa4 h LEU 270 CO -0.37 0.25 -0.99 -0.62 0.09 0.00 0.00 178.44 176.80 1aa4 n GLU 271 N -3.32 0.01 -1.66 1.13 1.02 -0.20 -4.63 120.64 112.99 1aa4 n GLU 271 Ca 0.01 -0.00 -0.46 0.00 -0.02 0.00 0.00 57.16 56.69 1aa4 n GLU 271 Cb 0.50 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.38 1aa4 n GLU 271 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1aa4 n ASN 272 N -1.51 2.77 0.00 1.62 3.02 -0.25 -2.31 115.26 118.60 1aa4 n ASN 272 Ca 0.04 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.71 1aa4 n ASN 272 Cb 0.33 -1.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.10 1aa4 n ASN 272 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1aa4 n GLY 273 N 2.65 3.21 3.73 7.41 0.00 -1.26 -4.49 105.19 116.45 1aa4 n GLY 273 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1aa4 n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aa4 s ILE 274 N -2.51 5.27 -0.25 -0.61 1.01 -0.98 -4.22 121.20 118.91 1aa4 s ILE 274 Ca 0.00 0.66 -0.16 0.00 0.00 0.00 0.00 60.65 61.15 1aa4 s ILE 274 Cb 0.00 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 1aa4 s ILE 274 CO 0.00 0.39 0.42 -0.89 0.00 0.00 0.00 174.94 174.86 1aa4 s THR 275 N 0.41 5.14 -0.31 2.92 2.01 0.12 -4.95 115.64 120.98 1aa4 s THR 275 Ca 0.19 0.70 -0.10 0.00 0.31 0.00 0.00 61.69 62.79 1aa4 s THR 275 Cb -0.14 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 1aa4 s THR 275 CO 0.06 0.15 0.17 -0.36 -0.69 0.00 0.00 174.62 173.95 1aa4 s PHE 276 N 2.00 3.19 0.57 4.92 0.08 -1.26 -0.69 117.98 126.78 1aa4 s PHE 276 Ca 0.18 -0.37 -0.19 0.00 0.12 0.00 0.00 56.93 56.68 1aa4 s PHE 276 Cb -0.16 -2.37 -0.07 0.00 -0.57 0.00 0.00 43.02 39.85 1aa4 s PHE 276 CO 0.09 -0.38 0.73 -2.30 -0.10 0.00 0.00 175.22 173.26 1aa4 n PRO 277 N 5.02 0.71 0.04 0.24 -0.02 -1.26 -4.92 135.00 134.80 1aa4 n PRO 277 Ca -0.14 0.27 0.10 0.00 -2.02 0.00 0.00 63.50 61.71 1aa4 n PRO 277 Cb 0.50 -1.90 0.41 0.00 -0.02 0.00 0.00 33.50 32.49 1aa4 n PRO 277 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1aa4 n LYS 278 N -0.42 0.07 -0.07 -0.52 0.00 -1.26 -0.95 118.16 115.01 1aa4 n LYS 278 Ca 0.12 0.25 0.10 0.00 0.00 0.00 0.00 58.31 58.79 1aa4 n LYS 278 Cb 0.47 -1.62 0.39 0.00 0.00 0.00 0.00 35.03 34.28 1aa4 n LYS 278 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1aa4 n ASP 279 N -1.74 1.52 -4.78 3.14 5.75 -1.26 -4.91 116.55 114.26 1aa4 n ASP 279 Ca 0.04 -1.68 -0.35 0.00 -0.01 0.00 0.00 54.79 52.79 1aa4 n ASP 279 Cb 0.23 -0.09 -0.02 0.00 -1.03 0.00 0.00 41.12 40.21 1aa4 n ASP 279 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1aa4 s ALA 280 N -1.81 2.87 0.74 2.12 0.00 -0.12 -5.01 121.76 120.53 1aa4 s ALA 280 Ca 0.32 0.76 -0.14 0.00 0.00 0.00 0.00 51.96 52.90 1aa4 s ALA 280 Cb 0.17 -3.32 0.04 0.00 0.00 0.00 0.00 23.12 20.02 1aa4 s ALA 280 CO 0.26 -0.51 1.17 -1.25 0.00 0.00 0.00 175.76 175.43 1aa4 s PRO 281 N -3.04 2.18 0.85 0.00 0.04 -1.26 -5.01 135.00 128.77 1aa4 s PRO 281 Ca 0.67 1.60 -0.13 0.00 0.04 0.00 0.00 61.00 63.18 1aa4 s PRO 281 Cb -0.22 -1.86 0.05 0.00 0.04 0.00 0.00 34.50 32.52 1aa4 s PRO 281 CO 0.26 -1.77 0.81 0.43 0.04 0.00 0.00 177.00 176.77 1aa4 n SER 282 N -2.87 -0.51 -4.76 6.66 7.64 -1.26 -4.94 113.62 113.57 1aa4 n SER 282 Ca 0.12 0.48 -0.41 0.00 1.01 0.00 0.00 58.87 60.07 1aa4 n SER 282 Cb 0.51 -1.35 -0.01 0.00 -1.01 0.00 0.00 64.21 62.35 1aa4 n SER 282 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1aa4 s PRO 283 N -3.77 4.17 0.24 1.43 0.04 -1.26 -4.91 135.00 130.94 1aa4 s PRO 283 Ca 0.66 2.48 -0.26 0.00 0.04 0.00 0.00 61.00 63.92 1aa4 s PRO 283 Cb -0.27 -3.02 -0.09 0.00 0.04 0.00 0.00 34.50 31.16 1aa4 s PRO 283 CO 0.59 -0.49 0.85 -0.06 0.04 0.00 0.00 177.00 177.92 1aa4 s PHE 284 N -0.64 3.83 -0.38 0.56 0.08 0.81 -4.80 117.98 117.44 1aa4 s PHE 284 Ca 0.56 1.70 -0.06 0.00 0.12 0.00 0.00 56.93 59.26 1aa4 s PHE 284 Cb -0.45 -2.84 0.07 0.00 -0.57 0.00 0.00 43.02 39.24 1aa4 s PHE 284 CO 0.54 0.39 0.17 0.42 -0.10 0.00 0.00 175.22 176.64 1aa4 s ILE 285 N -1.34 3.66 0.21 0.64 -1.09 -1.26 -1.55 121.20 120.47 1aa4 s ILE 285 Ca 0.42 -1.52 -0.28 0.00 -2.23 0.00 0.00 60.65 57.04 1aa4 s ILE 285 Cb -0.22 -3.25 -0.09 0.00 -1.58 0.00 0.00 42.46 37.33 1aa4 s ILE 285 CO 0.26 -0.42 0.87 -0.36 -1.23 0.00 0.00 174.94 174.06 1aa4 s PHE 286 N 1.31 3.94 0.39 3.97 0.08 -1.26 -5.04 117.98 121.37 1aa4 s PHE 286 Ca 0.02 1.79 -0.25 0.00 0.12 0.00 0.00 56.93 58.61 1aa4 s PHE 286 Cb -0.22 -2.89 -0.09 0.00 -0.57 0.00 0.00 43.02 39.26 1aa4 s PHE 286 CO -0.00 0.47 1.08 0.15 -0.10 0.00 0.00 175.22 176.82 1aa4 s LYS 287 N -1.21 4.17 0.69 0.44 1.02 -1.26 -5.01 119.74 118.59 1aa4 s LYS 287 Ca 0.39 1.60 -0.11 0.00 0.02 0.00 0.00 55.97 57.87 1aa4 s LYS 287 Cb -0.24 -2.62 0.01 0.00 -0.52 0.00 0.00 37.83 34.45 1aa4 s LYS 287 CO 0.29 -0.15 1.08 0.95 -0.92 0.00 0.00 175.35 176.60 1aa4 s THR 288 N -1.57 3.80 0.28 2.17 -4.23 -1.26 -4.92 115.64 109.92 1aa4 s THR 288 Ca 0.57 0.58 0.02 0.00 -1.18 0.00 0.00 61.69 61.68 1aa4 s THR 288 Cb -0.25 -3.54 0.28 0.00 1.34 0.00 0.00 72.50 70.33 1aa4 s THR 288 CO 0.31 -0.76 1.80 -0.07 -0.54 0.00 0.00 174.62 175.35 1aa4 h LEU 289 N -0.61 0.78 -0.26 4.79 3.38 -1.97 -1.85 115.31 119.57 1aa4 h LEU 289 Ca -0.45 0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.61 1aa4 h LEU 289 Cb 1.24 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 1aa4 h LEU 289 CO 0.62 0.36 0.14 -0.08 0.09 0.00 0.00 178.44 179.57 1aa4 h GLU 290 N 0.83 0.28 0.00 1.13 4.81 -1.93 0.41 114.58 120.11 1aa4 h GLU 290 Ca 0.51 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.72 1aa4 h GLU 290 Cb 0.65 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.96 1aa4 h GLU 290 CO -0.32 0.19 -0.00 0.93 -0.73 0.00 0.00 179.01 179.07 1aa4 h GLU 291 N 0.29 0.00 0.00 1.92 5.08 -1.74 -2.18 114.58 117.94 1aa4 h GLU 291 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1aa4 h GLU 291 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1aa4 h GLU 291 CO -0.06 0.00 -0.44 1.04 -1.00 0.00 0.00 179.01 178.56 1aa4 n GLN 292 N -3.10 0.09 -1.45 2.33 6.02 -0.12 -4.95 117.38 116.21 1aa4 n GLN 292 Ca -0.00 0.03 -0.11 0.00 -0.01 0.00 0.00 57.00 56.91 1aa4 n GLN 292 Cb 0.25 -1.56 -0.04 0.00 1.02 0.00 0.00 30.24 29.90 1aa4 n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1aa4 n GLY 293 N 1.45 1.00 0.72 1.08 0.00 -0.05 -5.07 105.19 104.31 1aa4 n GLY 293 Ca 0.05 -0.53 0.13 0.00 0.00 0.00 0.00 46.02 45.68 1aa4 n GLY 293 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36