#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ipi s LEU 11 N 0.00 0.16 0.40 0.00 1.43 -1.26 -4.73 118.68 114.68 2ipi s LEU 11 Ca 0.00 1.20 -0.27 0.00 -1.03 0.00 0.00 54.13 54.03 2ipi s LEU 11 Cb 0.00 -2.94 -0.09 0.00 0.03 0.00 0.00 46.19 43.18 2ipi s LEU 11 CO 0.00 -4.56 1.38 0.68 0.23 0.00 0.00 176.35 174.08 2ipi s VAL 12 N -2.46 2.35 -0.15 -1.59 -7.23 -1.26 -4.86 120.40 105.20 2ipi s VAL 12 Ca 0.68 0.33 -0.02 0.00 -1.81 0.00 0.00 61.98 61.17 2ipi s VAL 12 Cb -0.20 -3.20 -0.02 0.00 0.56 0.00 0.00 36.38 33.52 2ipi s VAL 12 CO 0.62 0.06 -0.09 -0.54 -0.31 0.00 0.00 175.10 174.83 2ipi s LYS 13 N -2.17 3.46 -0.15 4.82 -0.14 -0.50 -5.00 119.74 120.06 2ipi s LYS 13 Ca 0.55 -0.63 0.00 0.00 -1.36 0.00 0.00 55.97 54.53 2ipi s LYS 13 Cb -0.42 -2.76 -0.00 0.00 -1.68 0.00 0.00 37.83 32.97 2ipi s LYS 13 CO 0.55 0.17 -0.15 0.08 -0.76 0.00 0.00 175.35 175.25 2ipi s VAL 14 N 0.49 2.75 -0.10 3.17 1.01 -1.26 -0.01 120.40 126.43 2ipi s VAL 14 Ca -0.07 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.20 2ipi s VAL 14 Cb -0.15 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.07 2ipi s VAL 14 CO 0.04 0.51 -0.22 -1.81 0.00 0.00 0.00 175.10 173.62 2ipi s ASP 15 N 0.77 2.92 0.00 3.32 1.11 -0.39 -4.99 116.67 119.41 2ipi s ASP 15 Ca -0.06 -0.53 0.00 0.00 0.18 0.00 0.00 52.55 52.14 2ipi s ASP 15 Cb -0.15 -1.34 0.00 0.00 1.07 0.00 0.00 42.92 42.50 2ipi s ASP 15 CO 0.01 0.13 0.00 -2.11 1.18 0.00 0.00 175.17 174.37 2ipi n ARG 16 N 3.68 0.00 -0.31 8.23 1.85 -1.26 -1.10 116.66 127.75 2ipi n ARG 16 Ca -0.20 0.00 0.08 0.00 -1.00 0.00 0.00 57.85 56.73 2ipi n ARG 16 Cb 0.53 -0.03 0.18 0.00 -1.05 0.00 0.00 32.46 32.08 2ipi n ARG 16 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 2ipi n VAL 17 N -2.41 2.07 -3.51 8.89 0.24 -1.26 -4.89 118.33 117.45 2ipi n VAL 17 Ca 0.00 -2.55 -0.28 0.00 -2.04 0.00 0.00 64.34 59.47 2ipi n VAL 17 Cb 0.00 -0.25 -0.03 0.00 -1.47 0.00 0.00 33.84 32.09 2ipi n VAL 17 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2ipi s ASP 18 N -2.86 6.42 0.61 -1.34 2.15 -1.26 -4.99 116.67 115.40 2ipi s ASP 18 Ca 0.36 0.58 0.33 0.00 0.43 0.00 0.00 52.55 54.25 2ipi s ASP 18 Cb 0.32 -2.08 1.81 0.00 -0.30 0.00 0.00 42.92 42.67 2ipi s ASP 18 CO 0.00 -0.12 2.01 0.03 -0.17 0.00 0.00 175.17 176.93 2ipi h ARG 19 N 1.88 0.00 0.00 4.34 3.08 -2.03 -2.35 114.38 119.30 2ipi h ARG 19 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2ipi h ARG 19 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2ipi h ARG 19 CO 0.67 0.00 -0.99 0.54 -1.07 0.00 0.00 179.97 179.12 2ipi n ARG 20 N -2.83 0.42 -0.23 0.04 1.74 -1.26 -4.46 116.66 110.07 2ipi n ARG 20 Ca -0.02 0.04 0.04 0.00 -0.77 0.00 0.00 57.85 57.14 2ipi n ARG 20 Cb 0.23 -1.68 0.15 0.00 -1.02 0.00 0.00 32.46 30.14 2ipi n ARG 20 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 2ipi h TYR 21 N 0.00 0.25 -0.63 -1.55 5.03 -1.78 -1.41 116.97 116.87 2ipi h TYR 21 Ca 0.00 0.04 -0.07 0.00 2.58 0.00 0.00 58.73 61.28 2ipi h TYR 21 Cb 0.84 -0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.09 2ipi h TYR 21 CO 0.00 -0.06 0.14 1.96 -1.32 0.00 0.00 178.16 178.88 2ipi h GLN 22 N 0.27 1.03 -0.57 1.82 1.08 -1.79 -0.64 115.11 116.31 2ipi h GLN 22 Ca 0.37 -0.26 -0.00 0.00 -1.45 0.00 0.00 58.65 57.32 2ipi h GLN 22 Cb 0.60 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.88 2ipi h GLN 22 CO -0.47 0.94 0.35 -0.44 -0.95 0.00 0.00 178.83 178.26 2ipi h ASP 23 N 0.94 0.68 0.19 1.46 3.32 -1.64 -1.83 116.42 119.54 2ipi h ASP 23 Ca 0.20 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 2ipi h ASP 23 Cb 0.39 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 2ipi h ASP 23 CO 0.01 0.53 -0.15 -0.07 -1.72 0.00 0.00 179.24 177.83 2ipi h LEU 24 N 0.76 0.00 -1.42 1.55 4.07 -0.33 -2.59 115.31 117.36 2ipi h LEU 24 Ca 0.20 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.16 2ipi h LEU 24 Cb -0.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.71 2ipi h LEU 24 CO -0.04 0.15 -0.18 0.55 -1.08 0.00 0.00 178.44 177.85 2ipi n VAL 25 N -4.21 0.00 0.90 1.22 3.14 -0.34 -4.02 118.33 115.03 2ipi n VAL 25 Ca -0.02 -0.37 0.12 0.00 -2.96 0.00 0.00 64.34 61.11 2ipi n VAL 25 Cb 0.23 1.24 0.16 0.00 -1.06 0.00 0.00 33.84 34.40 2ipi n VAL 25 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2ipi n THR 26 N 0.63 0.11 -0.19 1.55 -2.24 -0.72 -3.93 114.28 109.49 2ipi n THR 26 Ca 0.13 -0.53 0.18 0.00 -2.27 0.00 0.00 64.05 61.56 2ipi n THR 26 Cb 0.51 1.29 0.54 0.00 -2.10 0.00 0.00 70.33 70.57 2ipi n THR 26 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2ipi h ARG 27 N 4.43 0.34 -6.94 -0.78 3.08 -1.66 -3.44 114.38 109.41 2ipi h ARG 27 Ca 0.00 -0.02 -0.53 0.00 0.07 0.00 0.00 59.98 59.50 2ipi h ARG 27 Cb 0.95 -0.08 0.09 0.00 0.08 0.00 0.00 29.97 31.01 2ipi h ARG 27 CO 0.00 0.23 0.66 0.20 -1.07 0.00 0.00 179.97 179.99 2ipi s GLY 28 N -3.84 2.94 0.02 0.04 0.00 -1.26 -4.78 107.32 100.43 2ipi s GLY 28 Ca -0.08 1.33 -0.09 0.00 0.00 0.00 0.00 44.72 45.88 2ipi s GLY 28 CO 0.77 1.95 1.14 -2.75 0.00 0.00 0.00 173.10 174.21 2ipi h PHE 29 N 2.80 -0.35 -1.47 1.90 3.57 -1.07 -3.40 116.94 118.93 2ipi h PHE 29 Ca -0.50 -0.00 -0.62 0.00 3.53 0.00 0.00 57.97 60.38 2ipi h PHE 29 Cb 1.24 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 40.10 2ipi h PHE 29 CO 0.53 -0.18 1.47 -1.71 -2.23 0.00 0.00 178.31 176.19 2ipi n ASN 30 N -3.05 2.58 0.00 0.41 4.05 -1.26 -4.83 115.26 113.16 2ipi n ASN 30 Ca -0.04 0.27 0.02 0.00 0.45 0.00 0.00 54.58 55.28 2ipi n ASN 30 Cb 0.13 -1.40 0.09 0.00 1.23 0.00 0.00 39.78 39.83 2ipi n ASN 30 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2ipi n GLY 31 N 6.21 -0.47 0.22 8.20 0.00 0.98 -1.98 105.19 118.35 2ipi n GLY 31 Ca 0.37 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.46 2ipi n GLY 31 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2ipi h ARG 32 N 0.00 0.00 -4.37 1.61 3.08 -1.88 -3.44 114.38 109.38 2ipi h ARG 32 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 2ipi h ARG 32 Cb 0.04 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 29.73 2ipi h ARG 32 CO 0.00 0.27 -0.81 -0.06 -1.07 0.00 0.00 179.97 178.30 2ipi s PHE 33 N -3.79 1.74 -0.09 3.04 0.08 -0.84 -5.10 117.98 113.03 2ipi s PHE 33 Ca -0.01 -0.94 0.00 0.00 0.12 0.00 0.00 56.93 56.11 2ipi s PHE 33 Cb 0.11 -1.36 0.02 0.00 -0.57 0.00 0.00 43.02 41.22 2ipi s PHE 33 CO 0.65 -0.58 -0.08 1.03 -0.10 0.00 0.00 175.22 176.14 2ipi s ARG 34 N 1.63 1.42 0.67 0.44 1.81 -1.26 -4.81 118.95 118.84 2ipi s ARG 34 Ca 0.04 -0.25 -0.04 0.00 -1.72 0.00 0.00 55.73 53.76 2ipi s ARG 34 Cb -0.13 -1.41 0.06 0.00 -0.45 0.00 0.00 34.95 33.02 2ipi s ARG 34 CO -0.09 -0.17 0.95 0.20 -0.68 0.00 0.00 175.30 175.51 2ipi s GLY 35 N 1.37 1.73 -0.38 -3.53 0.00 -1.22 -4.87 107.32 100.42 2ipi s GLY 35 Ca -0.02 -1.07 0.11 0.00 0.00 0.00 0.00 44.72 43.74 2ipi s GLY 35 CO -0.04 -0.68 0.71 0.54 0.00 0.00 0.00 173.10 173.62 2ipi n ARG 36 N -2.77 1.04 -1.50 2.90 1.74 -1.26 -4.95 116.66 111.85 2ipi n ARG 36 Ca 0.08 -3.43 -0.30 0.00 -0.77 0.00 0.00 57.85 53.43 2ipi n ARG 36 Cb 0.60 -1.66 0.08 0.00 -1.02 0.00 0.00 32.46 30.47 2ipi n ARG 36 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2ipi s PRO 37 N -2.27 2.33 0.28 5.56 0.04 -1.24 -4.84 135.00 134.86 2ipi s PRO 37 Ca 0.40 0.81 0.13 0.00 0.04 0.00 0.00 61.00 62.38 2ipi s PRO 37 Cb 0.32 -1.93 0.30 0.00 0.04 0.00 0.00 34.50 33.22 2ipi s PRO 37 CO -0.09 -1.49 1.56 -0.44 0.04 0.00 0.00 177.00 176.58 2ipi h ASP 38 N -1.00 0.00 -4.10 6.66 3.45 0.11 -3.46 116.42 118.09 2ipi h ASP 38 Ca -0.46 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 56.92 2ipi h ASP 38 Cb 1.25 0.00 -0.22 0.00 -0.56 0.00 0.00 39.33 39.80 2ipi h ASP 38 CO 0.57 0.60 -0.03 0.54 -1.57 0.00 0.00 179.24 179.35 2ipi s VAL 39 N -3.32 0.00 -0.20 -1.35 0.11 -1.18 -4.49 120.40 109.97 2ipi s VAL 39 Ca 0.00 -0.03 -0.06 0.00 -2.93 0.00 0.00 61.98 58.97 2ipi s VAL 39 Cb 0.11 -0.81 -0.03 0.00 -1.53 0.00 0.00 36.38 34.11 2ipi s VAL 39 CO 0.75 -0.01 0.03 -0.69 -3.33 0.00 0.00 175.10 171.85 2ipi s VAL 40 N 0.08 4.31 -0.26 2.04 1.01 -0.26 -2.51 120.40 124.83 2ipi s VAL 40 Ca -0.02 -0.19 -0.16 0.00 0.00 0.00 0.00 61.98 61.61 2ipi s VAL 40 Cb -0.04 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 2ipi s VAL 40 CO 0.02 0.42 0.41 -0.31 0.00 0.00 0.00 175.10 175.64 2ipi s TYR 41 N 0.87 3.27 -0.47 5.22 2.02 0.22 -1.26 117.35 127.22 2ipi s TYR 41 Ca 0.02 0.49 -0.18 0.00 -0.37 0.00 0.00 57.07 57.04 2ipi s TYR 41 Cb -0.14 -2.60 0.05 0.00 -0.40 0.00 0.00 41.96 38.87 2ipi s TYR 41 CO 0.02 -0.20 0.52 0.08 -1.57 0.00 0.00 175.55 174.40 2ipi s VAL 42 N 2.00 5.00 0.12 0.71 1.01 0.98 -0.37 120.40 129.84 2ipi s VAL 42 Ca 0.17 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.68 2ipi s VAL 42 Cb -0.16 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 2ipi s VAL 42 CO 0.09 -0.63 0.14 0.68 0.00 0.00 0.00 175.10 175.39 2ipi s VAL 43 N 2.31 4.71 0.00 2.92 -7.23 -1.16 -1.41 120.40 120.54 2ipi s VAL 43 Ca 0.13 -0.82 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 2ipi s VAL 43 Cb -0.19 -3.34 0.00 0.00 0.56 0.00 0.00 36.38 33.41 2ipi s VAL 43 CO 0.12 0.02 0.00 1.41 -0.31 0.00 0.00 175.10 176.34 2ipi n HIS 44 N 0.03 0.00 -4.21 2.82 8.25 -1.26 -4.42 115.22 116.43 2ipi n HIS 44 Ca -0.08 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.25 2ipi n HIS 44 Cb 0.53 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.54 2ipi n HIS 44 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2ipi s THR 45 N -0.98 0.04 0.28 1.59 -4.23 -1.26 -4.88 115.64 106.20 2ipi s THR 45 Ca 0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 2ipi s THR 45 Cb 0.00 -2.51 0.05 0.00 1.34 0.00 0.00 72.50 71.38 2ipi s THR 45 CO 0.00 0.00 1.70 0.00 -0.54 0.00 0.00 174.62 175.78 2ipi h ALA 46 N 2.57 1.07 -0.36 3.99 0.00 -1.98 -2.83 119.26 121.72 2ipi h ALA 46 Ca -0.35 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.16 2ipi h ALA 46 Cb 1.25 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2ipi h ALA 46 CO 0.53 0.57 0.12 -0.44 0.00 0.00 0.00 179.25 180.03 2ipi h ASP 47 N 0.37 0.47 1.00 0.00 3.32 -1.99 0.18 116.42 119.77 2ipi h ASP 47 Ca 0.05 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 2ipi h ASP 47 Cb 0.73 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 2ipi h ASP 47 CO 0.06 0.45 -0.41 1.56 -1.72 0.00 0.00 179.24 179.18 2ipi h GLN 48 N 0.52 0.00 -0.26 3.56 4.20 -1.91 -2.16 115.11 119.05 2ipi h GLN 48 Ca 0.13 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.66 2ipi h GLN 48 Cb 0.15 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 2ipi h GLN 48 CO -0.01 0.41 -0.54 0.28 -0.67 0.00 0.00 178.83 178.30 2ipi h VAL 49 N 0.00 1.29 -0.68 -0.54 2.07 -0.94 -0.87 116.25 116.57 2ipi h VAL 49 Ca -0.00 -1.74 0.06 0.00 0.82 0.00 0.00 66.70 65.83 2ipi h VAL 49 Cb 1.02 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 32.40 2ipi h VAL 49 CO 0.05 0.56 0.39 0.58 0.02 0.00 0.00 177.57 179.17 2ipi h VAL 50 N 0.61 0.98 -0.26 2.57 2.07 -0.71 -1.29 116.25 120.22 2ipi h VAL 50 Ca 0.01 -0.25 -0.10 0.00 0.82 0.00 0.00 66.70 67.18 2ipi h VAL 50 Cb 1.13 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2ipi h VAL 50 CO 0.12 0.13 -0.24 -0.78 0.02 0.00 0.00 177.57 176.82 2ipi h ASP 51 N 0.72 0.66 -0.56 0.57 3.58 -1.16 -1.61 116.42 118.62 2ipi h ASP 51 Ca 0.30 -0.47 -0.00 0.00 0.42 0.00 0.00 57.03 57.29 2ipi h ASP 51 Cb 0.17 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.01 2ipi h ASP 51 CO -0.17 0.99 0.34 0.00 -2.88 0.00 0.00 179.24 177.52 2ipi h ALA 52 N 0.69 0.71 -0.36 -0.78 0.00 -1.09 -0.51 119.26 117.92 2ipi h ALA 52 Ca 0.04 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2ipi h ALA 52 Cb 0.79 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2ipi h ALA 52 CO 0.06 0.18 0.03 0.28 0.00 0.00 0.00 179.25 179.80 2ipi h VAL 53 N 0.75 1.25 -0.59 0.00 2.07 -1.13 0.66 116.25 119.27 2ipi h VAL 53 Ca 0.20 -0.92 0.05 0.00 0.82 0.00 0.00 66.70 66.85 2ipi h VAL 53 Cb -0.03 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 2ipi h VAL 53 CO -0.04 0.31 0.32 0.78 0.02 0.00 0.00 177.57 178.96 2ipi h ASN 54 N 0.45 0.48 -0.21 0.57 2.35 -1.10 -1.51 115.58 116.60 2ipi h ASN 54 Ca 0.11 0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.78 2ipi h ASN 54 Cb 0.41 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 2ipi h ASN 54 CO 0.01 0.32 -0.22 1.56 -1.65 0.00 0.00 177.43 177.45 2ipi h GLN 55 N 0.61 0.67 -0.62 0.81 4.20 -0.74 -1.62 115.11 118.43 2ipi h GLN 55 Ca 0.26 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2ipi h GLN 55 Cb 0.14 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 2ipi h GLN 55 CO -0.16 0.84 0.32 0.00 -0.67 0.00 0.00 178.83 179.16 2ipi h ALA 56 N 1.16 0.79 -0.35 3.87 0.00 -0.47 -3.08 119.26 121.19 2ipi h ALA 56 Ca 0.09 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 2ipi h ALA 56 Cb 0.70 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2ipi h ALA 56 CO 0.05 0.34 -0.39 0.52 0.00 0.00 0.00 179.25 179.77 2ipi h MET 57 N 0.84 0.84 0.00 0.00 2.86 -1.00 -1.26 114.93 117.21 2ipi h MET 57 Ca 0.21 -0.44 -0.00 0.00 -2.06 0.00 0.00 59.70 57.41 2ipi h MET 57 Cb 0.09 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 2ipi h MET 57 CO -0.03 1.08 -0.01 0.00 1.06 0.00 0.00 176.91 179.01 2ipi h ALA 58 N 0.86 1.02 -0.05 6.32 0.00 -1.22 -1.84 119.26 124.36 2ipi h ALA 58 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2ipi h ALA 58 Cb 0.96 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2ipi h ALA 58 CO 0.09 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.35 2ipi n ALA 59 N -2.10 2.45 -0.98 0.00 0.00 -1.06 -5.00 120.51 113.82 2ipi n ALA 59 Ca -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.77 2ipi n ALA 59 Cb 0.18 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.18 2ipi n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ipi n GLY 60 N 0.75 0.47 3.69 0.00 0.00 -0.56 -5.02 105.19 104.53 2ipi n GLY 60 Ca 0.08 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 2ipi n GLY 60 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ipi s GLN 61 N -0.64 4.31 0.30 1.61 -0.21 -0.70 -5.00 119.66 119.33 2ipi s GLN 61 Ca 0.00 1.92 -0.30 0.00 0.02 0.00 0.00 55.36 57.00 2ipi s GLN 61 Cb 0.00 -3.51 -0.12 0.00 1.00 0.00 0.00 33.01 30.38 2ipi s GLN 61 CO 0.00 -0.52 1.55 -2.13 -2.12 0.00 0.00 175.29 172.07 2ipi n ARG 62 N 5.07 2.59 -4.14 2.91 0.63 -1.26 -4.59 116.66 117.86 2ipi n ARG 62 Ca 0.12 0.92 -0.35 0.00 -0.92 0.00 0.00 57.85 57.62 2ipi n ARG 62 Cb 0.44 -2.67 -0.08 0.00 0.45 0.00 0.00 32.46 30.61 2ipi n ARG 62 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2ipi s ILE 63 N -0.19 4.79 -0.01 5.15 1.01 -1.26 -0.80 121.20 129.89 2ipi s ILE 63 Ca 0.63 -0.19 -0.05 0.00 0.00 0.00 0.00 60.65 61.05 2ipi s ILE 63 Cb -0.52 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 38.85 2ipi s ILE 63 CO 0.51 0.51 0.10 0.00 0.00 0.00 0.00 174.94 176.06 2ipi s ALA 64 N -1.04 -0.22 -0.14 9.38 0.00 -0.79 -4.63 121.76 124.31 2ipi s ALA 64 Ca 0.17 -0.05 -0.06 0.00 0.00 0.00 0.00 51.96 52.02 2ipi s ALA 64 Cb -0.12 0.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 2ipi s ALA 64 CO 0.07 -0.14 0.08 0.08 0.00 0.00 0.00 175.76 175.85 2ipi s VAL 65 N -0.85 4.95 -0.01 0.00 1.01 -1.26 -0.98 120.40 123.25 2ipi s VAL 65 Ca -0.09 0.01 0.08 0.00 0.00 0.00 0.00 61.98 61.97 2ipi s VAL 65 Cb -0.05 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 2ipi s VAL 65 CO 0.01 0.54 -0.25 -0.60 0.00 0.00 0.00 175.10 174.80 2ipi s ARG 66 N -0.37 1.98 0.00 2.72 3.52 -0.98 -4.90 118.95 120.92 2ipi s ARG 66 Ca 0.10 -0.89 0.00 0.00 -0.13 0.00 0.00 55.73 54.80 2ipi s ARG 66 Cb -0.12 -1.93 0.00 0.00 -1.56 0.00 0.00 34.95 31.34 2ipi s ARG 66 CO 0.02 0.53 0.00 0.43 -0.81 0.00 0.00 175.30 175.46 2ipi n SER 67 N 2.43 0.00 0.05 -2.12 7.64 -1.26 -1.84 113.62 118.51 2ipi n SER 67 Ca -0.16 0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.85 2ipi n SER 67 Cb 0.52 0.00 0.34 0.00 -1.01 0.00 0.00 64.21 64.06 2ipi n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ipi n GLY 68 N 4.42 -1.49 2.43 0.23 0.00 -1.26 -4.63 105.19 104.89 2ipi n GLY 68 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2ipi n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ipi n GLY 69 N 1.39 0.60 0.42 -0.02 0.00 -1.26 -4.57 105.19 101.75 2ipi n GLY 69 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 2ipi n GLY 69 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ipi n HIS 70 N -2.60 0.29 -1.53 1.61 8.25 -1.26 -0.47 115.22 119.51 2ipi n HIS 70 Ca 0.00 -0.15 -0.60 0.00 -0.26 0.00 0.00 57.72 56.71 2ipi n HIS 70 Cb 0.03 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.05 2ipi n HIS 70 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ipi h PHE 72 N 8.09 0.00 -0.09 0.00 0.05 -1.91 -3.03 116.94 120.04 2ipi h PHE 72 Ca -0.31 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.48 2ipi h PHE 72 Cb 1.36 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.31 2ipi h PHE 72 CO 0.84 0.09 0.00 0.39 -0.18 0.00 0.00 178.31 179.44 2ipi n GLU 73 N -3.26 1.72 -1.98 1.51 -0.58 -1.26 -4.91 120.64 111.88 2ipi n GLU 73 Ca -0.00 -1.71 -0.19 0.00 -0.42 0.00 0.00 57.16 54.84 2ipi n GLU 73 Cb 0.32 -1.37 -0.04 0.00 -0.57 0.00 0.00 31.44 29.78 2ipi n GLU 73 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ipi n GLY 74 N 1.06 0.67 0.26 0.62 0.00 -1.15 -4.89 105.19 101.77 2ipi n GLY 74 Ca 0.12 -0.08 0.05 0.00 0.00 0.00 0.00 46.02 46.11 2ipi n GLY 74 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2ipi h PHE 75 N 0.00 0.31 -0.95 1.61 0.05 -1.95 0.38 116.94 116.40 2ipi h PHE 75 Ca -0.43 0.04 0.24 0.00 3.82 0.00 0.00 57.97 61.64 2ipi h PHE 75 Cb 1.30 -0.03 -0.07 0.00 2.00 0.00 0.00 35.95 39.16 2ipi h PHE 75 CO 0.53 -0.05 0.64 0.28 -0.18 0.00 0.00 178.31 179.53 2ipi h VAL 76 N 0.30 0.60 -0.14 -0.55 2.07 -1.90 -1.61 116.25 115.02 2ipi h VAL 76 Ca 0.40 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.82 2ipi h VAL 76 Cb 0.65 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2ipi h VAL 76 CO -0.47 0.05 0.00 0.47 0.02 0.00 0.00 177.57 177.64 2ipi n ASP 77 N -4.47 2.65 -4.52 0.57 8.00 0.13 -4.82 116.55 114.10 2ipi n ASP 77 Ca 0.21 -1.86 -0.48 0.00 0.71 0.00 0.00 54.79 53.36 2ipi n ASP 77 Cb 0.83 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.82 2ipi n ASP 77 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2ipi n ASP 78 N 1.03 0.37 0.01 -2.24 -0.08 -0.61 -3.38 116.55 111.66 2ipi n ASP 78 Ca 0.17 1.15 0.04 0.00 -1.51 0.00 0.00 54.79 54.63 2ipi n ASP 78 Cb 0.52 -1.12 0.17 0.00 2.34 0.00 0.00 41.12 43.03 2ipi n ASP 78 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2ipi n PRO 79 N 1.20 0.02 0.11 -0.67 -0.02 -1.26 -1.33 135.00 133.05 2ipi n PRO 79 Ca 0.15 0.41 0.13 0.00 -2.02 0.00 0.00 63.50 62.16 2ipi n PRO 79 Cb 0.25 -1.54 0.33 0.00 -0.02 0.00 0.00 33.50 32.52 2ipi n PRO 79 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ipi h ALA 80 N 2.21 0.91 -2.31 3.55 0.00 -1.96 -3.44 119.26 118.22 2ipi h ALA 80 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 2ipi h ALA 80 Cb 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2ipi h ALA 80 CO 0.00 0.00 0.77 0.08 0.00 0.00 0.00 179.25 180.10 2ipi s VAL 81 N -3.13 4.08 -0.07 0.00 1.01 -0.44 -4.57 120.40 117.28 2ipi s VAL 81 Ca 0.09 1.41 0.08 0.00 0.00 0.00 0.00 61.98 63.56 2ipi s VAL 81 Cb 0.12 -3.91 -0.12 0.00 0.00 0.00 0.00 36.38 32.47 2ipi s VAL 81 CO 0.63 -0.02 0.08 0.54 0.00 0.00 0.00 175.10 176.33 2ipi n ARG 82 N 5.43 1.96 -3.74 2.72 5.12 -0.89 -3.69 116.66 123.57 2ipi n ARG 82 Ca 0.12 -0.03 -0.23 0.00 -1.93 0.00 0.00 57.85 55.78 2ipi n ARG 82 Cb 0.45 -1.22 -0.18 0.00 -1.16 0.00 0.00 32.46 30.35 2ipi n ARG 82 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2ipi s ALA 83 N -2.33 0.62 -0.12 7.54 0.00 0.02 0.15 121.76 127.64 2ipi s ALA 83 Ca -0.04 -0.12 -0.06 0.00 0.00 0.00 0.00 51.96 51.74 2ipi s ALA 83 Cb 0.04 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 2ipi s ALA 83 CO 0.37 -0.57 0.09 0.54 0.00 0.00 0.00 175.76 176.19 2ipi s VAL 84 N 2.01 5.05 -0.37 0.00 0.11 -1.04 -1.88 120.40 124.28 2ipi s VAL 84 Ca 0.04 0.04 -0.05 0.00 -2.93 0.00 0.00 61.98 59.08 2ipi s VAL 84 Cb -0.13 -3.20 0.07 0.00 -1.53 0.00 0.00 36.38 31.59 2ipi s VAL 84 CO -0.05 0.58 0.15 0.27 -3.33 0.00 0.00 175.10 172.72 2ipi s ILE 85 N -0.70 3.62 -0.22 7.04 -4.36 -0.16 -0.61 121.20 125.82 2ipi s ILE 85 Ca 0.12 -1.47 -0.11 0.00 -0.26 0.00 0.00 60.65 58.94 2ipi s ILE 85 Cb -0.12 -3.20 -0.05 0.00 1.25 0.00 0.00 42.46 40.34 2ipi s ILE 85 CO 0.03 -0.37 0.17 -0.62 0.24 0.00 0.00 174.94 174.39 2ipi s ASP 86 N 1.66 6.19 0.00 4.36 3.68 0.50 -2.31 116.67 130.74 2ipi s ASP 86 Ca 0.01 0.20 0.22 0.00 2.13 0.00 0.00 52.55 55.12 2ipi s ASP 86 Cb -0.21 -2.11 0.50 0.00 -1.45 0.00 0.00 42.92 39.64 2ipi s ASP 86 CO 0.00 0.11 1.44 0.23 0.13 0.00 0.00 175.17 177.07 2ipi n MET 87 N 3.95 2.40 0.00 4.34 2.81 -0.77 -3.00 117.12 126.85 2ipi n MET 87 Ca -0.15 -2.12 0.07 0.00 -1.81 0.00 0.00 57.70 53.69 2ipi n MET 87 Cb 0.52 -1.50 0.33 0.00 -0.71 0.00 0.00 33.22 31.86 2ipi n MET 87 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2ipi n SER 88 N 1.31 0.00 -0.61 7.83 3.41 -1.26 -1.04 113.62 123.25 2ipi n SER 88 Ca 0.19 0.38 0.13 0.00 -0.26 0.00 0.00 58.87 59.31 2ipi n SER 88 Cb 0.56 -0.44 0.41 0.00 -0.26 0.00 0.00 64.21 64.48 2ipi n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ipi n GLN 89 N -1.44 1.84 -3.17 4.33 1.13 -1.26 -4.66 117.38 114.16 2ipi n GLN 89 Ca 0.05 -1.23 -0.46 0.00 -1.94 0.00 0.00 57.00 53.42 2ipi n GLN 89 Cb 0.15 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 29.01 2ipi n GLN 89 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 2ipi s MET 90 N -1.98 3.48 -0.03 -1.09 -1.94 -0.21 -4.86 119.30 112.67 2ipi s MET 90 Ca 0.35 -2.02 0.04 0.00 -1.71 0.00 0.00 55.69 52.36 2ipi s MET 90 Cb 0.21 -4.54 0.07 0.00 2.01 0.00 0.00 34.83 32.57 2ipi s MET 90 CO 0.32 -1.48 0.90 0.54 -0.01 0.00 0.00 175.02 175.29 2ipi n ARG 91 N 5.22 1.15 -1.98 2.03 1.74 -1.26 0.46 116.66 124.02 2ipi n ARG 91 Ca 0.12 -1.38 -0.41 0.00 -0.77 0.00 0.00 57.85 55.41 2ipi n ARG 91 Cb 0.46 -0.88 -0.02 0.00 -1.02 0.00 0.00 32.46 31.01 2ipi n ARG 91 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2ipi s GLN 92 N -0.96 4.25 -0.11 5.56 -0.21 -1.26 -4.56 119.66 122.37 2ipi s GLN 92 Ca 0.07 2.36 0.01 0.00 0.02 0.00 0.00 55.36 57.82 2ipi s GLN 92 Cb 0.07 -3.05 0.02 0.00 1.00 0.00 0.00 33.01 31.04 2ipi s GLN 92 CO 0.01 -0.37 -0.13 0.08 -2.12 0.00 0.00 175.29 172.76 2ipi s VAL 93 N -0.73 1.34 0.13 1.09 1.01 -1.26 -0.53 120.40 121.44 2ipi s VAL 93 Ca 0.54 -0.53 -0.22 0.00 0.00 0.00 0.00 61.98 61.77 2ipi s VAL 93 Cb -0.43 -1.26 0.06 0.00 0.00 0.00 0.00 36.38 34.76 2ipi s VAL 93 CO 0.53 0.41 0.55 0.72 0.00 0.00 0.00 175.10 177.31 2ipi s PHE 94 N 1.20 -0.46 -0.29 5.22 -0.12 -0.32 -4.99 117.98 118.23 2ipi s PHE 94 Ca -0.03 0.28 -0.23 0.00 -0.05 0.00 0.00 56.93 56.89 2ipi s PHE 94 Cb -0.14 0.46 -0.00 0.00 -0.63 0.00 0.00 43.02 42.71 2ipi s PHE 94 CO -0.04 -0.78 0.79 -0.47 -0.05 0.00 0.00 175.22 174.66 2ipi s TYR 95 N -3.52 3.23 -0.35 3.49 5.04 -1.26 0.14 117.35 124.11 2ipi s TYR 95 Ca 0.00 0.88 -0.02 0.00 -2.44 0.00 0.00 57.07 55.49 2ipi s TYR 95 Cb -0.00 -3.16 0.08 0.00 0.35 0.00 0.00 41.96 39.23 2ipi s TYR 95 CO -0.11 -0.51 0.10 0.34 -1.34 0.00 0.00 175.55 174.03 2ipi s ASP 96 N 1.55 5.07 0.31 4.32 -1.08 0.22 -4.92 116.67 122.14 2ipi s ASP 96 Ca 0.32 -1.67 0.02 0.00 -0.52 0.00 0.00 52.55 50.71 2ipi s ASP 96 Cb -0.14 -1.77 0.51 0.00 -1.46 0.00 0.00 42.92 40.06 2ipi s ASP 96 CO 0.11 -0.40 1.84 0.28 0.52 0.00 0.00 175.17 177.52 2ipi h SER 97 N 8.01 0.59 -0.88 -0.34 0.02 -1.92 0.40 113.55 119.43 2ipi h SER 97 Ca -0.16 -0.12 0.24 0.00 -0.84 0.00 0.00 61.79 60.91 2ipi h SER 97 Cb 1.05 -0.16 -0.14 0.00 0.14 0.00 0.00 62.40 63.30 2ipi h SER 97 CO 0.61 0.65 0.25 1.23 -1.14 0.00 0.00 176.83 178.42 2ipi h GLY 98 N 0.89 1.38 1.21 -3.77 0.00 -1.92 1.44 103.07 102.29 2ipi h GLY 98 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2ipi h GLY 98 CO 0.01 -0.37 -0.62 0.50 0.00 0.00 0.00 176.54 176.06 2ipi h LYS 99 N 0.21 0.00 -4.66 4.80 1.79 -1.89 -3.47 116.57 113.36 2ipi h LYS 99 Ca 0.56 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.72 2ipi h LYS 99 Cb 1.12 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 31.88 2ipi h LYS 99 CO -0.65 0.00 -0.52 -2.13 -1.08 0.00 0.00 179.45 175.07 2ipi n ARG 100 N -2.22 -6.00 -3.77 3.15 0.63 0.49 -5.00 116.66 103.93 2ipi n ARG 100 Ca 0.03 0.65 -0.10 0.00 -0.92 0.00 0.00 57.85 57.51 2ipi n ARG 100 Cb 0.46 -5.13 -0.05 0.00 0.45 0.00 0.00 32.46 28.19 2ipi n ARG 100 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2ipi s ALA 101 N -3.23 -0.66 -0.23 5.13 0.00 -0.09 -4.90 121.76 117.79 2ipi s ALA 101 Ca 0.44 -0.37 -0.18 0.00 0.00 0.00 0.00 51.96 51.85 2ipi s ALA 101 Cb -0.19 0.79 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 2ipi s ALA 101 CO 0.54 -0.71 0.49 -0.06 0.00 0.00 0.00 175.76 176.03 2ipi s PHE 102 N -3.88 3.33 -0.01 0.00 0.08 -0.67 0.72 117.98 117.55 2ipi s PHE 102 Ca 0.09 0.68 -0.24 0.00 0.12 0.00 0.00 56.93 57.59 2ipi s PHE 102 Cb 0.01 -2.66 -0.05 0.00 -0.57 0.00 0.00 43.02 39.75 2ipi s PHE 102 CO -0.05 -0.16 0.72 0.00 -0.10 0.00 0.00 175.22 175.63 2ipi s ALA 103 N 1.85 3.37 -0.05 5.36 0.00 0.37 -0.59 121.76 132.06 2ipi s ALA 103 Ca 0.22 0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.38 2ipi s ALA 103 Cb -0.15 -2.95 0.02 0.00 0.00 0.00 0.00 23.12 20.03 2ipi s ALA 103 CO 0.09 0.00 -0.08 0.14 0.00 0.00 0.00 175.76 175.91 2ipi s VAL 104 N 0.31 0.82 0.24 0.00 -7.23 0.52 -1.18 120.40 113.88 2ipi s VAL 104 Ca 0.37 -0.30 -0.14 0.00 -1.81 0.00 0.00 61.98 60.10 2ipi s VAL 104 Cb -0.19 -0.78 -0.08 0.00 0.56 0.00 0.00 36.38 35.89 2ipi s VAL 104 CO 0.20 0.28 0.63 -1.61 -0.31 0.00 0.00 175.10 174.29 2ipi s GLU 105 N 0.72 3.96 0.00 4.82 2.02 0.31 -1.82 118.70 128.71 2ipi s GLU 105 Ca -0.12 0.52 0.00 0.00 0.02 0.00 0.00 54.97 55.38 2ipi s GLU 105 Cb -0.15 -2.68 0.00 0.00 0.10 0.00 0.00 34.13 31.40 2ipi s GLU 105 CO 0.02 0.32 0.41 -0.35 0.02 0.00 0.00 175.26 175.68 2ipi n PRO 106 N 0.13 0.79 -0.00 0.39 -0.04 -1.26 -1.38 135.00 133.64 2ipi n PRO 106 Ca -0.00 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.51 2ipi n PRO 106 Cb 0.52 -1.39 -0.07 0.00 -0.04 0.00 0.00 33.50 32.53 2ipi n PRO 106 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ipi n GLY 107 N 0.12 -0.20 3.77 0.55 0.00 0.17 -3.67 105.19 105.94 2ipi n GLY 107 Ca 0.00 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 2ipi n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ipi s ALA 108 N -2.31 3.12 0.60 4.61 0.00 -0.48 -4.73 121.76 122.57 2ipi s ALA 108 Ca 0.01 0.86 -0.05 0.00 0.00 0.00 0.00 51.96 52.77 2ipi s ALA 108 Cb 0.08 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.88 2ipi s ALA 108 CO 0.44 -0.41 0.91 -0.08 0.00 0.00 0.00 175.76 176.62 2ipi s THR 109 N -1.51 3.41 0.13 0.00 -1.32 -1.26 -0.35 115.64 114.75 2ipi s THR 109 Ca 0.58 -0.08 -0.16 0.00 -1.21 0.00 0.00 61.69 60.81 2ipi s THR 109 Cb -0.27 -3.37 -0.01 0.00 -1.51 0.00 0.00 72.50 67.34 2ipi s THR 109 CO 0.34 -0.37 1.66 -0.07 -2.21 0.00 0.00 174.62 173.96 2ipi h LEU 110 N -0.21 0.56 -0.85 9.08 3.38 0.47 -2.16 115.31 125.57 2ipi h LEU 110 Ca -0.45 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.30 2ipi h LEU 110 Cb 1.27 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 2ipi h LEU 110 CO 0.60 0.61 0.46 1.23 0.09 0.00 0.00 178.44 181.43 2ipi h GLY 111 N 0.49 1.28 1.08 0.83 0.00 -1.61 0.11 103.07 105.25 2ipi h GLY 111 Ca 0.13 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 2ipi h GLY 111 CO -0.01 0.56 0.55 0.83 0.00 0.00 0.00 176.54 178.48 2ipi h GLU 112 N 1.19 1.22 0.02 4.80 5.08 -1.75 -1.94 114.58 123.20 2ipi h GLU 112 Ca 0.30 -0.11 -0.25 0.00 -1.00 0.00 0.00 59.36 58.30 2ipi h GLU 112 Cb 0.04 -0.26 0.01 0.00 0.50 0.00 0.00 28.75 29.05 2ipi h GLU 112 CO -0.05 0.85 -1.03 1.79 -1.00 0.00 0.00 179.01 179.57 2ipi h THR 113 N 1.24 1.35 -0.12 1.13 1.35 -1.16 -2.74 112.91 113.95 2ipi h THR 113 Ca 0.32 -2.40 -0.01 0.00 -0.55 0.00 0.00 66.41 63.77 2ipi h THR 113 Cb -0.06 2.46 -0.01 0.00 -1.73 0.00 0.00 68.15 68.81 2ipi h THR 113 CO -0.06 0.73 0.05 1.88 -0.25 0.00 0.00 175.52 177.87 2ipi h TYR 114 N 0.29 0.19 -0.22 4.73 0.99 -0.79 -0.45 116.97 121.70 2ipi h TYR 114 Ca -0.11 -0.01 -0.11 0.00 2.00 0.00 0.00 58.73 60.49 2ipi h TYR 114 Cb 1.68 -0.06 -0.00 0.00 1.00 0.00 0.00 36.73 39.35 2ipi h TYR 114 CO 0.08 0.28 -0.30 0.07 -0.00 0.00 0.00 178.16 178.29 2ipi h ARG 115 N 0.04 0.59 -0.55 4.88 0.11 -1.46 0.17 114.38 118.18 2ipi h ARG 115 Ca 0.04 -0.34 0.09 0.00 0.10 0.00 0.00 59.98 59.87 2ipi h ARG 115 Cb 0.17 0.03 -0.07 0.00 1.11 0.00 0.00 29.97 31.20 2ipi h ARG 115 CO -0.00 0.95 0.14 0.00 0.10 0.00 0.00 179.97 181.15 2ipi h ALA 116 N 0.64 0.65 -0.49 0.08 0.00 -1.46 0.30 119.26 118.98 2ipi h ALA 116 Ca 0.03 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 2ipi h ALA 116 Cb 0.88 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2ipi h ALA 116 CO 0.07 -0.28 -0.19 -0.07 0.00 0.00 0.00 179.25 178.78 2ipi h LEU 117 N 0.28 0.99 0.10 0.00 4.07 -0.82 -2.80 115.31 117.13 2ipi h LEU 117 Ca 0.28 -0.36 -0.01 0.00 0.08 0.00 0.00 57.88 57.87 2ipi h LEU 117 Cb 0.37 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.84 2ipi h LEU 117 CO -0.34 1.15 -0.05 0.22 -1.08 0.00 0.00 178.44 178.34 2ipi h TYR 118 N 0.85 -0.13 -0.48 1.13 3.20 -0.08 -2.45 116.97 119.01 2ipi h TYR 118 Ca 0.12 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 2ipi h TYR 118 Cb 0.75 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 2ipi h TYR 118 CO 0.05 0.35 0.15 -0.07 -1.64 0.00 0.00 178.16 177.00 2ipi h LEU 119 N -0.70 0.65 0.12 2.82 3.38 -0.49 0.37 115.31 121.45 2ipi h LEU 119 Ca -0.01 -0.09 -0.29 0.00 0.09 0.00 0.00 57.88 57.58 2ipi h LEU 119 Cb 0.54 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2ipi h LEU 119 CO 0.02 0.62 -1.37 0.44 0.09 0.00 0.00 178.44 178.24 2ipi h ASP 120 N 0.70 0.38 0.00 -0.43 5.19 -1.57 -3.40 116.42 117.28 2ipi h ASP 120 Ca 0.16 -0.46 0.00 0.00 -0.62 0.00 0.00 57.03 56.11 2ipi h ASP 120 Cb 0.20 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.59 2ipi h ASP 120 CO -0.01 1.38 0.00 0.79 -3.12 0.00 0.00 179.24 178.28 2ipi n TRP 121 N -3.48 0.00 -0.99 4.55 8.01 -1.12 -5.01 117.44 119.40 2ipi n TRP 121 Ca -0.12 -0.01 0.00 0.00 -1.31 0.00 0.00 57.50 56.06 2ipi n TRP 121 Cb 1.03 -0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.33 2ipi n TRP 121 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2ipi n GLY 122 N -0.01 0.57 3.93 6.99 0.00 0.13 -4.67 105.19 112.14 2ipi n GLY 122 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2ipi n GLY 122 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ipi s VAL 123 N -2.39 2.91 0.28 1.61 1.01 -0.94 -1.62 120.40 121.27 2ipi s VAL 123 Ca 0.00 -1.20 -0.17 0.00 0.00 0.00 0.00 61.98 60.62 2ipi s VAL 123 Cb 0.00 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.36 2ipi s VAL 123 CO 0.00 -0.02 0.63 -0.89 0.00 0.00 0.00 175.10 174.83 2ipi s THR 124 N -2.40 0.00 -0.01 3.92 2.01 -0.88 -2.65 115.64 115.62 2ipi s THR 124 Ca 0.50 -1.17 0.05 0.00 0.31 0.00 0.00 61.69 61.38 2ipi s THR 124 Cb -0.06 -2.20 -0.01 0.00 0.01 0.00 0.00 72.50 70.24 2ipi s THR 124 CO 0.30 0.00 -0.16 0.27 -0.69 0.00 0.00 174.62 174.34 2ipi s ILE 125 N -3.74 1.24 -1.23 1.82 -4.36 -1.26 -3.86 121.20 109.81 2ipi s ILE 125 Ca 0.16 -0.68 -0.13 0.00 -0.26 0.00 0.00 60.65 59.75 2ipi s ILE 125 Cb -0.04 -1.03 -0.06 0.00 1.25 0.00 0.00 42.46 42.58 2ipi s ILE 125 CO 0.09 0.35 2.33 -0.81 0.24 0.00 0.00 174.94 177.14 2ipi n PRO 126 N 2.68 2.61 -0.55 0.37 -0.04 -1.26 -4.85 135.00 133.96 2ipi n PRO 126 Ca -0.14 -2.07 0.00 0.00 -0.04 0.00 0.00 63.50 61.24 2ipi n PRO 126 Cb 0.55 -2.89 0.00 0.00 -0.04 0.00 0.00 33.50 31.11 2ipi n PRO 126 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ipi n ALA 127 N 5.31 0.00 -1.08 0.55 0.00 -1.26 -3.24 120.51 120.78 2ipi n ALA 127 Ca 0.57 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.72 2ipi n ALA 127 Cb 0.29 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.91 2ipi n ALA 127 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ipi s GLY 128 N -1.42 1.60 0.08 0.00 0.00 -0.97 -2.83 107.32 103.78 2ipi s GLY 128 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 44.72 44.61 2ipi s GLY 128 CO 0.00 0.42 1.13 -2.08 0.00 0.00 0.00 173.10 172.58 2ipi h VAL 129 N -1.81 1.51 -3.36 1.40 2.07 -1.97 -3.45 116.25 110.64 2ipi h VAL 129 Ca -0.52 -3.16 -0.59 0.00 0.82 0.00 0.00 66.70 63.25 2ipi h VAL 129 Cb 1.30 2.85 -0.09 0.00 -1.52 0.00 0.00 31.29 33.84 2ipi h VAL 129 CO 0.54 0.90 0.57 0.00 0.02 0.00 0.00 177.57 179.59 2ipi h PRO 131 N 8.03 0.92 0.00 0.00 0.11 -1.87 -2.37 132.00 136.82 2ipi h PRO 131 Ca -0.23 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2ipi h PRO 131 Cb 1.08 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2ipi h PRO 131 CO 0.93 0.70 0.00 0.94 -0.21 0.00 0.00 178.00 180.36 2ipi n GLN 132 N -4.35 0.33 -1.89 1.05 7.27 -1.26 -1.20 117.38 117.32 2ipi n GLN 132 Ca 0.06 0.06 -0.41 0.00 0.07 0.00 0.00 57.00 56.78 2ipi n GLN 132 Cb 0.12 -1.50 -0.01 0.00 2.41 0.00 0.00 30.24 31.26 2ipi n GLN 132 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2ipi s VAL 133 N -2.59 2.25 0.12 1.69 1.01 -0.89 -4.74 120.40 117.24 2ipi s VAL 133 Ca 0.22 0.24 -0.29 0.00 0.00 0.00 0.00 61.98 62.16 2ipi s VAL 133 Cb 0.16 -3.15 -0.06 0.00 0.00 0.00 0.00 36.38 33.32 2ipi s VAL 133 CO 0.37 0.05 0.90 -0.83 0.00 0.00 0.00 175.10 175.60 2ipi s GLY 134 N -0.13 2.97 0.12 4.51 0.00 -1.26 -0.89 107.32 112.64 2ipi s GLY 134 Ca 0.53 0.50 -0.22 0.00 0.00 0.00 0.00 44.72 45.53 2ipi s GLY 134 CO 0.58 1.29 1.70 -2.08 0.00 0.00 0.00 173.10 174.59 2ipi h VAL 135 N 3.87 0.75 -0.47 1.40 2.07 -0.94 -3.11 116.25 119.81 2ipi h VAL 135 Ca -0.44 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.13 2ipi h VAL 135 Cb 1.21 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 31.67 2ipi h VAL 135 CO 0.71 0.00 -0.28 0.61 0.02 0.00 0.00 177.57 178.63 2ipi n GLY 136 N -1.22 -2.22 0.08 2.17 0.00 -1.24 -1.81 105.19 100.95 2ipi n GLY 136 Ca -0.04 0.75 0.13 0.00 0.00 0.00 0.00 46.02 46.86 2ipi n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ipi n GLY 137 N -1.12 -1.65 0.11 -0.02 0.00 -1.20 -4.14 105.19 97.16 2ipi n GLY 137 Ca 0.01 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 2ipi n GLY 137 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2ipi n HIS 138 N -2.08 0.76 -0.24 1.61 -0.00 -0.75 -4.51 115.22 110.01 2ipi n HIS 138 Ca 0.06 0.33 -0.01 0.00 -0.00 0.00 0.00 57.72 58.10 2ipi n HIS 138 Cb 0.41 -1.03 0.20 0.00 -0.00 0.00 0.00 29.99 29.56 2ipi n HIS 138 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2ipi h VAL 139 N -1.00 1.22 0.00 3.57 2.07 -1.56 -2.98 116.25 117.57 2ipi h VAL 139 Ca -0.39 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 66.65 2ipi h VAL 139 Cb 1.29 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2ipi h VAL 139 CO -0.23 0.23 0.00 0.17 0.02 0.00 0.00 177.57 177.75 2ipi h LEU 140 N 1.06 0.00 -0.26 2.57 8.10 -1.77 -0.92 115.31 124.09 2ipi h LEU 140 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.27 2ipi h LEU 140 Cb -0.03 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.19 2ipi h LEU 140 CO -0.05 0.00 -0.09 0.61 -4.11 0.00 0.00 178.44 174.80 2ipi n GLY 141 N 0.61 -0.89 1.55 0.17 0.00 -1.13 -0.48 105.19 105.01 2ipi n GLY 141 Ca 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 2ipi n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ipi n GLY 142 N 1.25 0.75 3.71 -0.02 0.00 -0.35 -4.29 105.19 106.23 2ipi n GLY 142 Ca 0.15 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 2ipi n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ipi s GLY 143 N -3.03 1.92 0.18 -0.02 0.00 -1.22 -4.70 107.32 100.44 2ipi s GLY 143 Ca 0.02 0.64 0.00 0.00 0.00 0.00 0.00 44.72 45.39 2ipi s GLY 143 CO 0.04 1.04 0.06 -2.52 0.00 0.00 0.00 173.10 171.73 2ipi s TYR 144 N -2.46 1.14 0.00 1.90 1.13 -1.26 -0.77 117.35 117.03 2ipi s TYR 144 Ca 0.68 -1.18 -0.00 0.00 -1.41 0.00 0.00 57.07 55.16 2ipi s TYR 144 Cb -0.24 -0.63 0.00 0.00 -1.10 0.00 0.00 41.96 39.99 2ipi s TYR 144 CO 0.53 -0.41 0.02 0.41 -2.51 0.00 0.00 175.55 173.59 2ipi n GLY 145 N -0.23 1.10 0.55 5.49 0.00 -1.13 -2.30 105.19 108.67 2ipi n GLY 145 Ca -0.04 -0.90 0.36 0.00 0.00 0.00 0.00 46.02 45.44 2ipi n GLY 145 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ipi h PRO 146 N 0.00 0.00 -0.31 1.61 0.11 -1.91 0.64 132.00 132.15 2ipi h PRO 146 Ca -0.01 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 2ipi h PRO 146 Cb 0.02 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.09 2ipi h PRO 146 CO 0.01 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.08 2ipi n LEU 147 N -3.92 4.03 0.13 2.35 4.77 -1.26 -4.42 117.00 118.69 2ipi n LEU 147 Ca 0.27 -3.26 0.02 0.00 -0.03 0.00 0.00 56.01 53.01 2ipi n LEU 147 Cb 1.37 -0.58 0.02 0.00 -2.33 0.00 0.00 43.42 41.90 2ipi n LEU 147 CO 0.37 0.86 0.44 0.28 -1.33 0.00 0.00 177.39 178.00 2ipi h SER 148 N 1.51 0.00 0.90 -1.43 0.02 -1.05 0.43 113.55 113.93 2ipi h SER 148 Ca 0.09 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2ipi h SER 148 Cb 1.55 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.09 2ipi h SER 148 CO 0.30 0.52 -0.05 0.03 -1.14 0.00 0.00 176.83 176.49 2ipi h ARG 149 N 0.00 0.00 0.06 3.45 3.08 -1.76 0.00 114.38 119.21 2ipi h ARG 149 Ca -0.01 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.75 2ipi h ARG 149 Cb 1.40 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.43 2ipi h ARG 149 CO 0.07 0.05 -1.57 -0.09 -1.07 0.00 0.00 179.97 177.35 2ipi h ARG 150 N 0.00 0.13 -0.01 0.04 2.43 -1.29 0.36 114.38 116.04 2ipi h ARG 150 Ca -0.00 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 2ipi h ARG 150 Cb 0.51 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2ipi h ARG 150 CO 0.01 1.11 -0.02 -0.25 -1.51 0.00 0.00 179.97 179.30 2ipi n ASP 151 N -4.00 1.56 0.00 -3.80 8.00 0.13 -4.45 116.55 113.99 2ipi n ASP 151 Ca -0.31 -1.28 0.00 0.00 0.71 0.00 0.00 54.79 53.91 2ipi n ASP 151 Cb 0.85 0.07 0.00 0.00 -0.02 0.00 0.00 41.12 42.02 2ipi n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ipi n GLY 152 N 0.49 -2.13 3.87 0.44 0.00 -0.02 -4.91 105.19 102.92 2ipi n GLY 152 Ca 0.04 -1.77 -0.31 0.00 0.00 0.00 0.00 46.02 43.99 2ipi n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ipi s VAL 153 N -0.17 4.67 0.41 1.61 1.01 -1.26 -4.29 120.40 122.39 2ipi s VAL 153 Ca 0.00 0.87 0.19 0.00 0.00 0.00 0.00 61.98 63.04 2ipi s VAL 153 Cb 0.00 -3.85 0.40 0.00 0.00 0.00 0.00 36.38 32.93 2ipi s VAL 153 CO 0.00 -1.13 1.80 1.62 0.00 0.00 0.00 175.10 177.38 2ipi h VAL 154 N -0.34 0.56 0.00 2.92 3.04 -0.92 0.15 116.25 121.66 2ipi h VAL 154 Ca -0.44 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 2ipi h VAL 154 Cb 1.19 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.63 2ipi h VAL 154 CO 0.62 0.07 0.00 0.00 -1.01 0.00 0.00 177.57 177.25 2ipi h ALA 155 N 1.60 1.00 0.00 3.17 0.00 -1.82 -3.04 119.26 120.17 2ipi h ALA 155 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.47 2ipi h ALA 155 Cb 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2ipi h ALA 155 CO -0.24 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 178.76 2ipi n ASP 156 N -2.92 0.00 -0.11 0.00 8.00 0.54 -1.95 116.55 120.12 2ipi n ASP 156 Ca 0.01 0.24 0.06 0.00 0.71 0.00 0.00 54.79 55.81 2ipi n ASP 156 Cb 0.31 -0.36 0.08 0.00 -0.02 0.00 0.00 41.12 41.13 2ipi n ASP 156 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2ipi n HIS 157 N -1.36 0.00 -3.14 1.24 8.25 -1.15 -4.38 115.22 114.68 2ipi n HIS 157 Ca 0.05 -0.69 -0.41 0.00 -0.26 0.00 0.00 57.72 56.42 2ipi n HIS 157 Cb 0.12 -0.10 -0.07 0.00 1.12 0.00 0.00 29.99 31.06 2ipi n HIS 157 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2ipi s LEU 158 N -1.87 4.14 -0.10 2.41 2.96 -0.82 -0.43 118.68 124.97 2ipi s LEU 158 Ca 0.18 0.43 -0.11 0.00 -0.22 0.00 0.00 54.13 54.41 2ipi s LEU 158 Cb 0.16 -2.78 -0.27 0.00 0.50 0.00 0.00 46.19 43.80 2ipi s LEU 158 CO 0.02 -0.44 0.49 0.22 -1.32 0.00 0.00 176.35 175.32 2ipi h TYR 159 N 8.16 0.51 -2.81 5.38 5.03 -1.23 -3.46 116.97 128.55 2ipi h TYR 159 Ca -0.27 -0.37 0.10 0.00 2.58 0.00 0.00 58.73 60.77 2ipi h TYR 159 Cb 1.12 -0.02 -0.06 0.00 1.55 0.00 0.00 36.73 39.32 2ipi h TYR 159 CO 0.75 1.68 0.30 0.00 -1.32 0.00 0.00 178.16 179.58 2ipi s ALA 160 N -2.53 -1.34 -0.01 1.82 0.00 -1.11 -2.30 121.76 116.29 2ipi s ALA 160 Ca -0.20 -0.19 -0.06 0.00 0.00 0.00 0.00 51.96 51.51 2ipi s ALA 160 Cb 0.06 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.97 2ipi s ALA 160 CO 0.78 -1.04 0.12 0.54 0.00 0.00 0.00 175.76 176.16 2ipi s VAL 161 N -3.73 0.06 -0.19 0.00 0.11 -0.06 -1.63 120.40 114.97 2ipi s VAL 161 Ca 0.11 -0.52 -0.08 0.00 -2.93 0.00 0.00 61.98 58.57 2ipi s VAL 161 Cb -0.05 -0.34 -0.04 0.00 -1.53 0.00 0.00 36.38 34.42 2ipi s VAL 161 CO 0.06 -0.28 0.08 -1.61 -3.33 0.00 0.00 175.10 170.01 2ipi s GLU 162 N -0.97 4.00 -0.02 1.54 2.02 0.49 -1.15 118.70 124.62 2ipi s GLU 162 Ca -0.11 -0.33 0.03 0.00 0.02 0.00 0.00 54.97 54.59 2ipi s GLU 162 Cb -0.06 -3.26 -0.00 0.00 0.10 0.00 0.00 34.13 30.90 2ipi s GLU 162 CO 0.01 0.25 -0.12 0.08 0.02 0.00 0.00 175.26 175.50 2ipi s VAL 163 N 0.45 0.99 -0.30 2.63 1.01 0.58 0.10 120.40 125.87 2ipi s VAL 163 Ca 0.04 -0.50 -0.14 0.00 0.00 0.00 0.00 61.98 61.38 2ipi s VAL 163 Cb -0.12 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 2ipi s VAL 163 CO 0.00 0.29 0.30 -0.69 0.00 0.00 0.00 175.10 175.00 2ipi s VAL 164 N -0.07 5.23 0.33 2.92 1.01 0.73 -0.01 120.40 130.55 2ipi s VAL 164 Ca 0.01 0.24 0.09 0.00 0.00 0.00 0.00 61.98 62.32 2ipi s VAL 164 Cb -0.07 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.57 2ipi s VAL 164 CO 0.00 0.11 -0.10 0.68 0.00 0.00 0.00 175.10 175.79 2ipi s VAL 165 N 1.93 2.21 -0.13 2.92 -7.23 0.13 -1.29 120.40 118.93 2ipi s VAL 165 Ca 0.11 -2.22 0.03 0.00 -1.81 0.00 0.00 61.98 58.09 2ipi s VAL 165 Cb -0.16 -2.60 0.01 0.00 0.56 0.00 0.00 36.38 34.19 2ipi s VAL 165 CO 0.11 -0.23 -0.22 -0.69 -0.31 0.00 0.00 175.10 173.76 2ipi s VAL 166 N -2.64 2.04 0.67 1.32 1.01 -1.26 -0.34 120.40 121.21 2ipi s VAL 166 Ca 0.32 -0.97 -0.17 0.00 0.00 0.00 0.00 61.98 61.16 2ipi s VAL 166 Cb 0.02 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 2ipi s VAL 166 CO 0.16 0.55 0.83 0.47 0.00 0.00 0.00 175.10 177.11 2ipi n ASP 167 N 3.97 0.07 0.26 3.32 8.00 -0.66 -4.40 116.55 127.11 2ipi n ASP 167 Ca -0.20 0.70 0.09 0.00 0.71 0.00 0.00 54.79 56.09 2ipi n ASP 167 Cb 0.52 -1.34 0.68 0.00 -0.02 0.00 0.00 41.12 40.95 2ipi n ASP 167 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ipi h ALA 168 N -0.02 1.71 0.00 2.24 0.00 -1.93 0.45 119.26 121.70 2ipi h ALA 168 Ca -0.47 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2ipi h ALA 168 Cb 1.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2ipi h ALA 168 CO 0.47 0.09 0.00 -1.13 0.00 0.00 0.00 179.25 178.68 2ipi n SER 169 N -4.20 0.00 0.00 0.00 3.41 -1.26 -4.91 113.62 106.66 2ipi n SER 169 Ca -0.03 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2ipi n SER 169 Cb 0.15 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 2ipi n SER 169 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ipi n GLY 170 N 0.97 0.69 3.48 5.00 0.00 0.16 -5.05 105.19 110.44 2ipi n GLY 170 Ca 0.11 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 2ipi n GLY 170 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ipi s ARG 171 N -1.66 3.33 0.24 1.61 3.52 -1.25 -4.80 118.95 119.94 2ipi s ARG 171 Ca 0.00 -0.58 -0.30 0.00 -0.13 0.00 0.00 55.73 54.72 2ipi s ARG 171 Cb 0.00 -2.74 -0.09 0.00 -1.56 0.00 0.00 34.95 30.56 2ipi s ARG 171 CO 0.00 0.35 1.33 0.00 -0.81 0.00 0.00 175.30 176.17 2ipi s ALA 172 N 0.04 3.54 0.00 6.12 0.00 -1.26 -1.65 121.76 128.54 2ipi s ALA 172 Ca -0.02 1.18 -0.03 0.00 0.00 0.00 0.00 51.96 53.09 2ipi s ALA 172 Cb -0.14 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.49 2ipi s ALA 172 CO 0.03 -0.59 0.05 1.03 0.00 0.00 0.00 175.76 176.29 2ipi s ARG 173 N -0.62 0.32 -0.00 0.00 0.52 0.54 -4.96 118.95 114.76 2ipi s ARG 173 Ca 0.55 -0.37 -0.10 0.00 -0.52 0.00 0.00 55.73 55.29 2ipi s ARG 173 Cb -0.38 0.13 -0.05 0.00 0.52 0.00 0.00 34.95 35.17 2ipi s ARG 173 CO 0.43 -0.06 0.31 0.21 0.02 0.00 0.00 175.30 176.20 2ipi s LYS 174 N -1.09 3.68 0.01 3.54 2.20 -1.26 -0.69 119.74 126.13 2ipi s LYS 174 Ca -0.12 0.10 -0.01 0.00 -0.36 0.00 0.00 55.97 55.58 2ipi s LYS 174 Cb -0.07 -3.12 -0.01 0.00 -1.51 0.00 0.00 37.83 33.12 2ipi s LYS 174 CO 0.00 0.67 -0.01 0.14 -0.36 0.00 0.00 175.35 175.79 2ipi s VAL 175 N -1.21 0.08 -0.10 4.02 -7.23 0.99 -4.97 120.40 111.97 2ipi s VAL 175 Ca 0.25 -0.67 -0.01 0.00 -1.81 0.00 0.00 61.98 59.75 2ipi s VAL 175 Cb -0.14 -0.22 -0.03 0.00 0.56 0.00 0.00 36.38 36.55 2ipi s VAL 175 CO 0.14 -0.37 -0.05 -0.69 -0.31 0.00 0.00 175.10 173.82 2ipi s VAL 176 N -1.09 3.84 -0.09 1.32 1.01 -1.26 -0.31 120.40 123.82 2ipi s VAL 176 Ca -0.12 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.46 2ipi s VAL 176 Cb -0.07 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.71 2ipi s VAL 176 CO -0.01 0.56 -0.08 0.00 0.00 0.00 0.00 175.10 175.57 2ipi s ALA 177 N -0.39 1.20 0.32 5.51 0.00 -0.30 -4.87 121.76 123.24 2ipi s ALA 177 Ca 0.06 -0.43 0.10 0.00 0.00 0.00 0.00 51.96 51.69 2ipi s ALA 177 Cb -0.12 -0.75 -0.06 0.00 0.00 0.00 0.00 23.12 22.19 2ipi s ALA 177 CO 0.02 -0.22 -0.11 -0.08 0.00 0.00 0.00 175.76 175.37 2ipi s THR 178 N 1.33 2.42 -2.07 0.00 -1.32 -1.26 -0.88 115.64 113.85 2ipi s THR 178 Ca -0.03 -2.23 0.21 0.00 -1.21 0.00 0.00 61.69 58.43 2ipi s THR 178 Cb -0.14 -2.56 0.56 0.00 -1.51 0.00 0.00 72.50 68.84 2ipi s THR 178 CO -0.04 -0.27 1.74 -1.54 -2.21 0.00 0.00 174.62 172.30 2ipi n SER 179 N -0.76 0.38 -4.77 8.08 3.41 -0.97 -4.26 113.62 114.72 2ipi n SER 179 Ca -0.05 -1.43 -0.41 0.00 -0.26 0.00 0.00 58.87 56.72 2ipi n SER 179 Cb 0.62 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.54 2ipi n SER 179 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ipi s ALA 180 N -1.96 3.60 0.28 7.33 0.00 -1.26 -4.87 121.76 124.89 2ipi s ALA 180 Ca 0.31 1.56 0.13 0.00 0.00 0.00 0.00 51.96 53.96 2ipi s ALA 180 Cb 0.15 -3.61 0.96 0.00 0.00 0.00 0.00 23.12 20.62 2ipi s ALA 180 CO 0.25 -1.02 1.27 0.00 0.00 0.00 0.00 175.76 176.25 2ipi n ALA 181 N 0.82 0.71 -0.14 0.00 0.00 -1.26 -1.75 120.51 118.89 2ipi n ALA 181 Ca 0.02 0.83 0.05 0.00 0.00 0.00 0.00 53.44 54.34 2ipi n ALA 181 Cb 0.39 -0.77 0.13 0.00 0.00 0.00 0.00 19.45 19.20 2ipi n ALA 181 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2ipi n ASP 182 N -4.90 2.79 -4.68 0.00 3.85 -1.26 -5.00 116.55 107.35 2ipi n ASP 182 Ca 0.27 -1.98 -0.42 0.00 -0.71 0.00 0.00 54.79 51.95 2ipi n ASP 182 Cb 0.92 -0.20 -0.03 0.00 -1.35 0.00 0.00 41.12 40.47 2ipi n ASP 182 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2ipi s ASP 183 N -1.00 6.74 0.04 -1.12 -1.08 -0.72 -4.87 116.67 114.67 2ipi s ASP 183 Ca 0.20 2.21 0.15 0.00 -0.52 0.00 0.00 52.55 54.59 2ipi s ASP 183 Cb 0.11 -2.55 0.64 0.00 -1.46 0.00 0.00 42.92 39.65 2ipi s ASP 183 CO 0.14 -0.83 1.47 -0.81 0.52 0.00 0.00 175.17 175.66 2ipi n PRO 184 N 6.10 0.03 -0.78 4.34 -0.04 -1.26 -1.79 135.00 141.59 2ipi n PRO 184 Ca 0.15 0.30 0.01 0.00 -0.04 0.00 0.00 63.50 63.91 2ipi n PRO 184 Cb 0.43 -1.56 0.29 0.00 -0.04 0.00 0.00 33.50 32.61 2ipi n PRO 184 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2ipi n ASN 185 N -1.61 4.27 -0.30 3.54 3.02 -1.26 -4.76 115.26 118.15 2ipi n ASN 185 Ca 0.03 -3.21 -0.03 0.00 -0.03 0.00 0.00 54.58 51.34 2ipi n ASN 185 Cb 0.17 -0.66 0.13 0.00 -0.61 0.00 0.00 39.78 38.80 2ipi n ASN 185 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 2ipi h ARG 186 N 2.27 1.18 0.00 3.52 2.43 -1.53 -2.91 114.38 119.34 2ipi h ARG 186 Ca 0.14 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 2ipi h ARG 186 Cb 1.90 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 31.21 2ipi h ARG 186 CO 0.49 0.86 -0.31 0.93 -1.51 0.00 0.00 179.97 180.43 2ipi h GLU 187 N 1.19 0.00 -0.71 0.20 4.39 -1.86 -1.81 114.58 115.97 2ipi h GLU 187 Ca 0.30 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.94 2ipi h GLU 187 Cb 0.02 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 2ipi h GLU 187 CO -0.05 0.31 0.21 1.25 -1.16 0.00 0.00 179.01 179.57 2ipi h LEU 188 N 0.00 1.04 0.26 1.33 6.46 -1.90 -1.21 115.31 121.30 2ipi h LEU 188 Ca -0.00 -0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.56 2ipi h LEU 188 Cb 0.56 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.19 2ipi h LEU 188 CO 0.04 0.97 -0.31 -0.25 -0.62 0.00 0.00 178.44 178.27 2ipi h TRP 189 N 1.06 -0.83 -0.87 1.25 7.01 -1.31 -3.09 115.95 119.17 2ipi h TRP 189 Ca 0.23 0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.39 2ipi h TRP 189 Cb 0.31 0.33 -0.15 0.00 -2.10 0.00 0.00 29.16 27.55 2ipi h TRP 189 CO 0.02 -0.43 -0.34 2.35 -2.79 0.00 0.00 178.44 177.25 2ipi h TRP 190 N -0.62 -0.92 -0.18 2.65 2.91 -0.98 0.36 115.95 119.17 2ipi h TRP 190 Ca -0.00 0.09 0.05 0.00 1.13 0.00 0.00 58.89 60.16 2ipi h TRP 190 Cb 0.58 0.53 -0.01 0.00 -0.51 0.00 0.00 29.16 29.76 2ipi h TRP 190 CO -0.21 -0.40 0.20 0.00 -1.03 0.00 0.00 178.44 177.01 2ipi h ALA 191 N 1.38 1.80 -0.41 2.65 0.00 -1.15 0.10 119.26 123.62 2ipi h ALA 191 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2ipi h ALA 191 Cb 0.60 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2ipi h ALA 191 CO -0.89 -0.30 0.00 0.72 0.00 0.00 0.00 179.25 178.78 2ipi n HIS 192 N -3.79 0.82 -2.08 0.00 8.25 0.13 -4.16 115.22 114.39 2ipi n HIS 192 Ca 0.02 -0.35 -0.32 0.00 -0.26 0.00 0.00 57.72 56.81 2ipi n HIS 192 Cb 0.33 -0.12 0.03 0.00 1.12 0.00 0.00 29.99 31.34 2ipi n HIS 192 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2ipi n THR 193 N 0.66 2.94 0.00 1.59 5.66 0.02 -4.41 114.28 120.75 2ipi n THR 193 Ca 0.16 -4.36 0.00 0.00 -3.05 0.00 0.00 64.05 56.80 2ipi n THR 193 Cb 0.53 -1.22 0.00 0.00 -1.55 0.00 0.00 70.33 68.08 2ipi n THR 193 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ipi n GLY 194 N -0.60 1.12 0.27 1.09 0.00 0.36 -2.44 105.19 104.99 2ipi n GLY 194 Ca 0.48 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 44.20 2ipi n GLY 194 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ipi n GLY 195 N -0.94 1.79 0.25 -0.02 0.00 -1.24 -4.63 105.19 100.40 2ipi n GLY 195 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2ipi n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ipi n GLY 196 N -2.00 -2.78 0.37 -0.02 0.00 -1.15 -4.92 105.19 94.69 2ipi n GLY 196 Ca 0.00 -1.37 0.06 0.00 0.00 0.00 0.00 46.02 44.72 2ipi n GLY 196 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ipi h GLY 197 N -0.22 1.36 -4.32 -0.02 0.00 -1.85 -3.39 103.07 94.63 2ipi h GLY 197 Ca -0.03 -0.39 -0.51 0.00 0.00 0.00 0.00 47.33 46.40 2ipi h GLY 197 CO 0.01 0.22 -0.85 0.61 0.00 0.00 0.00 176.54 176.53 2ipi n GLY 198 N -1.39 5.33 0.45 4.60 0.00 -1.26 -4.82 105.19 108.10 2ipi n GLY 198 Ca 0.16 -2.41 -0.03 0.00 0.00 0.00 0.00 46.02 43.74 2ipi n GLY 198 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ipi n ASN 199 N -0.56 0.84 0.01 1.61 5.03 -1.26 -3.31 115.26 117.63 2ipi n ASN 199 Ca 0.35 0.13 0.11 0.00 0.87 0.00 0.00 54.58 56.04 2ipi n ASN 199 Cb 0.83 -0.44 -0.03 0.00 -1.02 0.00 0.00 39.78 39.12 2ipi n ASN 199 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 2ipi n PHE 200 N -3.32 0.12 -0.47 3.10 3.72 -1.26 -4.57 117.46 114.77 2ipi n PHE 200 Ca -0.04 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 2ipi n PHE 200 Cb 0.16 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.42 2ipi n PHE 200 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2ipi n GLY 201 N 1.41 0.75 3.53 1.37 0.00 -1.26 -4.67 105.19 106.32 2ipi n GLY 201 Ca 0.02 -1.82 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 2ipi n GLY 201 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ipi s ILE 202 N -2.42 5.14 -0.00 -0.61 1.01 -0.42 -4.92 121.20 118.97 2ipi s ILE 202 Ca 0.00 -0.14 -0.30 0.00 0.00 0.00 0.00 60.65 60.21 2ipi s ILE 202 Cb 0.00 -3.57 -0.06 0.00 0.01 0.00 0.00 42.46 38.84 2ipi s ILE 202 CO 0.00 0.09 1.52 0.68 0.00 0.00 0.00 174.94 177.23 2ipi s VAL 203 N 1.71 3.53 -0.04 2.92 -7.23 -1.26 -0.19 120.40 119.84 2ipi s VAL 203 Ca 0.06 0.87 0.04 0.00 -1.81 0.00 0.00 61.98 61.14 2ipi s VAL 203 Cb -0.17 -3.56 -0.06 0.00 0.56 0.00 0.00 36.38 33.16 2ipi s VAL 203 CO 0.10 -0.02 0.10 1.07 -0.31 0.00 0.00 175.10 176.04 2ipi n THR 204 N 4.91 0.00 -3.71 5.32 5.66 0.29 -4.78 114.28 121.97 2ipi n THR 204 Ca 0.15 -0.16 -0.12 0.00 -3.05 0.00 0.00 64.05 60.87 2ipi n THR 204 Cb 0.43 0.53 -0.10 0.00 -1.55 0.00 0.00 70.33 69.64 2ipi n THR 204 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 2ipi s ARG 205 N -2.09 0.51 0.02 1.09 3.52 -1.05 -4.36 118.95 116.60 2ipi s ARG 205 Ca -0.01 0.69 0.01 0.00 -0.13 0.00 0.00 55.73 56.29 2ipi s ARG 205 Cb 0.03 0.20 -0.04 0.00 -1.56 0.00 0.00 34.95 33.57 2ipi s ARG 205 CO 0.16 -0.09 0.07 0.71 -0.81 0.00 0.00 175.30 175.35 2ipi s TYR 206 N 0.53 3.24 -0.07 5.12 1.51 -0.76 -0.38 117.35 126.54 2ipi s TYR 206 Ca -0.02 0.15 0.02 0.00 -1.01 0.00 0.00 57.07 56.21 2ipi s TYR 206 Cb -0.04 -1.69 0.01 0.00 -0.11 0.00 0.00 41.96 40.12 2ipi s TYR 206 CO -0.03 0.53 -0.14 -1.58 -1.11 0.00 0.00 175.55 173.22 2ipi s TRP 207 N -1.25 1.65 -0.10 2.71 0.52 -0.65 -0.35 118.94 121.48 2ipi s TRP 207 Ca 0.25 -0.64 -0.01 0.00 0.02 0.00 0.00 56.10 55.71 2ipi s TRP 207 Cb -0.12 -1.19 -0.03 0.00 -1.15 0.00 0.00 33.47 30.98 2ipi s TRP 207 CO 0.16 -0.32 -0.05 -0.06 0.02 0.00 0.00 176.95 176.71 2ipi s PHE 208 N 0.67 3.00 -0.30 -1.98 0.40 0.24 -0.94 117.98 119.07 2ipi s PHE 208 Ca -0.14 -0.06 -0.13 0.00 -0.60 0.00 0.00 56.93 56.00 2ipi s PHE 208 Cb -0.16 -1.81 0.15 0.00 0.51 0.00 0.00 43.02 41.71 2ipi s PHE 208 CO 0.04 0.23 0.85 0.50 0.70 0.00 0.00 175.22 177.54 2ipi s ARG 209 N -0.43 0.42 0.11 0.44 3.00 0.43 -1.68 118.95 121.25 2ipi s ARG 209 Ca 0.07 1.03 -0.31 0.00 -1.00 0.00 0.00 55.73 55.52 2ipi s ARG 209 Cb -0.12 0.59 -0.10 0.00 0.00 0.00 0.00 34.95 35.32 2ipi s ARG 209 CO 0.02 -0.14 1.79 0.99 0.00 0.00 0.00 175.30 177.96 2ipi s THR 210 N 2.55 2.66 0.58 4.11 2.01 -0.52 -4.29 115.64 122.74 2ipi s THR 210 Ca -0.04 0.15 0.29 0.00 0.31 0.00 0.00 61.69 62.40 2ipi s THR 210 Cb -0.08 -3.10 0.38 0.00 0.01 0.00 0.00 72.50 69.71 2ipi s THR 210 CO -0.18 -0.00 1.93 -0.65 -0.69 0.00 0.00 174.62 175.03 2ipi h PRO 211 N 8.54 0.00 -5.88 4.92 0.11 -1.90 -2.59 132.00 135.20 2ipi h PRO 211 Ca -0.45 0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.22 2ipi h PRO 211 Cb 1.21 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 2ipi h PRO 211 CO 0.94 0.00 1.13 0.20 -0.21 0.00 0.00 178.00 180.06 2ipi s GLY 212 N -3.90 0.70 -0.04 -0.55 0.00 -1.26 -4.97 107.32 97.30 2ipi s GLY 212 Ca -0.04 -1.91 -0.01 0.00 0.00 0.00 0.00 44.72 42.76 2ipi s GLY 212 CO 0.57 3.12 0.03 0.00 0.00 0.00 0.00 173.10 176.82 2ipi s ALA 213 N 7.71 3.39 -0.05 3.20 0.00 -0.98 -4.96 121.76 130.08 2ipi s ALA 213 Ca 0.59 -0.86 -0.03 0.00 0.00 0.00 0.00 51.96 51.66 2ipi s ALA 213 Cb -0.03 -1.48 0.02 0.00 0.00 0.00 0.00 23.12 21.63 2ipi s ALA 213 CO -0.04 0.64 0.11 0.99 0.00 0.00 0.00 175.76 177.46 2ipi s THR 214 N -1.04 -0.03 0.06 0.00 2.01 -1.26 -5.15 115.64 110.23 2ipi s THR 214 Ca 0.18 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.27 2ipi s THR 214 Cb -0.12 -0.18 0.00 0.00 0.01 0.00 0.00 72.50 72.21 2ipi s THR 214 CO 0.08 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.66 2ipi n GLY 215 N 3.62 -1.11 0.07 4.40 0.00 -1.26 -4.63 105.19 106.28 2ipi n GLY 215 Ca -0.20 -1.03 0.01 0.00 0.00 0.00 0.00 46.02 44.80 2ipi n GLY 215 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ipi n THR 216 N -2.37 1.00 -2.70 2.61 -2.24 -1.26 -4.95 114.28 104.38 2ipi n THR 216 Ca 0.00 -1.00 -0.43 0.00 -2.27 0.00 0.00 64.05 60.36 2ipi n THR 216 Cb 0.12 0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 2ipi n THR 216 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ipi s ASP 217 N -1.00 6.41 0.61 3.42 2.15 -1.26 -4.91 116.67 122.09 2ipi s ASP 217 Ca 0.02 -0.07 0.31 0.00 0.43 0.00 0.00 52.55 53.25 2ipi s ASP 217 Cb 0.01 -2.50 1.73 0.00 -0.30 0.00 0.00 42.92 41.86 2ipi s ASP 217 CO 0.02 -1.36 2.08 -0.65 -0.17 0.00 0.00 175.17 175.09 2ipi h PRO 218 N 9.42 0.00 0.00 4.34 0.11 -1.95 0.57 132.00 144.50 2ipi h PRO 218 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2ipi h PRO 218 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2ipi h PRO 218 CO 1.14 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 179.36 2ipi n SER 219 N -3.55 0.00 -0.22 -2.05 7.64 -1.26 -2.57 113.62 111.60 2ipi n SER 219 Ca 0.01 -0.39 0.02 0.00 1.01 0.00 0.00 58.87 59.52 2ipi n SER 219 Cb 0.34 -0.08 0.05 0.00 -1.01 0.00 0.00 64.21 63.52 2ipi n SER 219 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ipi n GLN 220 N -1.08 2.95 0.00 1.43 6.02 0.19 -4.67 117.38 122.22 2ipi n GLN 220 Ca 0.12 -1.70 0.06 0.00 -0.01 0.00 0.00 57.00 55.47 2ipi n GLN 220 Cb 0.08 -1.10 0.01 0.00 1.02 0.00 0.00 30.24 30.25 2ipi n GLN 220 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2ipi n LEU 221 N -0.16 1.56 -3.94 1.08 4.77 -1.06 -4.61 117.00 114.64 2ipi n LEU 221 Ca 0.04 -0.81 -0.08 0.00 -0.03 0.00 0.00 56.01 55.12 2ipi n LEU 221 Cb 0.31 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.32 2ipi n LEU 221 CO 0.03 0.30 -0.16 -0.76 -1.33 0.00 0.00 177.39 175.47 2ipi s LEU 222 N -1.68 1.64 0.33 2.23 1.43 -1.26 -1.44 118.68 119.92 2ipi s LEU 222 Ca 0.12 -0.79 -0.29 0.00 -1.03 0.00 0.00 54.13 52.13 2ipi s LEU 222 Cb 0.11 0.81 -0.12 0.00 0.03 0.00 0.00 46.19 47.03 2ipi s LEU 222 CO 0.29 -0.72 1.52 -2.65 0.23 0.00 0.00 176.35 175.02 2ipi n PRO 223 N -0.04 2.62 -2.13 1.29 -0.02 -1.25 -4.81 135.00 130.65 2ipi n PRO 223 Ca -0.13 0.92 -0.41 0.00 -2.02 0.00 0.00 63.50 61.86 2ipi n PRO 223 Cb 0.62 -2.66 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 2ipi n PRO 223 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2ipi s LYS 224 N -1.31 4.34 1.00 -0.52 1.02 -1.26 -2.07 119.74 120.93 2ipi s LYS 224 Ca 0.59 2.15 -0.13 0.00 0.02 0.00 0.00 55.97 58.59 2ipi s LYS 224 Cb -0.50 -3.17 0.08 0.00 -0.52 0.00 0.00 37.83 33.72 2ipi s LYS 224 CO 0.56 -0.34 0.48 0.00 -0.92 0.00 0.00 175.35 175.13 2ipi n ALA 225 N 2.71 -2.67 -1.59 5.17 0.00 -0.64 -4.83 120.51 118.66 2ipi n ALA 225 Ca 0.07 -0.78 -0.30 0.00 0.00 0.00 0.00 53.44 52.43 2ipi n ALA 225 Cb 0.42 -1.81 0.08 0.00 0.00 0.00 0.00 19.45 18.14 2ipi n ALA 225 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2ipi s PRO 226 N -3.80 2.20 0.10 0.00 0.02 -1.26 -4.99 135.00 127.27 2ipi s PRO 226 Ca 0.59 0.63 -0.17 0.00 0.02 0.00 0.00 61.00 62.06 2ipi s PRO 226 Cb -0.20 -1.93 -0.06 0.00 0.02 0.00 0.00 34.50 32.33 2ipi s PRO 226 CO 0.66 -1.53 1.56 1.15 -0.33 0.00 0.00 177.00 178.50 2ipi h THR 227 N -1.03 1.24 -2.48 0.99 2.02 -1.93 -3.44 112.91 108.29 2ipi h THR 227 Ca -0.47 -0.87 0.05 0.00 0.77 0.00 0.00 66.41 65.90 2ipi h THR 227 Cb 1.26 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 2ipi h THR 227 CO 0.60 0.28 0.31 -1.54 0.37 0.00 0.00 175.52 175.54 2ipi n SER 228 N -4.60 -1.42 -4.08 4.18 3.41 -1.26 -4.51 113.62 105.33 2ipi n SER 228 Ca -0.03 -1.87 -0.32 0.00 -0.26 0.00 0.00 58.87 56.39 2ipi n SER 228 Cb 0.23 2.34 -0.15 0.00 -0.26 0.00 0.00 64.21 66.37 2ipi n SER 228 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2ipi s THR 229 N -2.28 2.15 -0.34 6.66 2.01 -0.32 -1.05 115.64 122.47 2ipi s THR 229 Ca 0.14 -1.47 -0.20 0.00 0.31 0.00 0.00 61.69 60.47 2ipi s THR 229 Cb -0.03 -2.18 -0.00 0.00 0.01 0.00 0.00 72.50 70.30 2ipi s THR 229 CO 0.06 0.11 0.61 -0.22 -0.69 0.00 0.00 174.62 174.49 2ipi s LEU 230 N 1.15 4.24 0.02 4.42 2.96 -0.56 -2.64 118.68 128.27 2ipi s LEU 230 Ca -0.06 0.18 0.06 0.00 -0.22 0.00 0.00 54.13 54.10 2ipi s LEU 230 Cb -0.18 -2.76 -0.03 0.00 0.50 0.00 0.00 46.19 43.72 2ipi s LEU 230 CO -0.07 -0.55 -0.17 -0.60 -1.32 0.00 0.00 176.35 173.64 2ipi s ARG 231 N 2.63 2.15 -0.11 1.98 3.52 -0.67 -1.65 118.95 126.80 2ipi s ARG 231 Ca 0.24 -0.93 0.02 0.00 -0.13 0.00 0.00 55.73 54.92 2ipi s ARG 231 Cb -0.15 -2.22 -0.01 0.00 -1.56 0.00 0.00 34.95 31.01 2ipi s ARG 231 CO 0.14 0.55 -0.17 -1.01 -0.81 0.00 0.00 175.30 174.00 2ipi s HIS 232 N -0.89 2.71 -0.28 5.12 3.76 0.39 -2.08 115.29 124.02 2ipi s HIS 232 Ca 0.14 -0.76 -0.03 0.00 -0.15 0.00 0.00 55.06 54.26 2ipi s HIS 232 Cb -0.11 -1.78 0.03 0.00 1.11 0.00 0.00 32.58 31.84 2ipi s HIS 232 CO 0.04 -0.26 0.00 -1.50 -0.85 0.00 0.00 174.74 172.17 2ipi s ILE 233 N 0.27 3.25 -0.26 0.60 2.07 -0.45 0.29 121.20 126.97 2ipi s ILE 233 Ca -0.12 -1.03 -0.10 0.00 -1.41 0.00 0.00 60.65 57.99 2ipi s ILE 233 Cb -0.16 -2.72 -0.05 0.00 0.13 0.00 0.00 42.46 39.66 2ipi s ILE 233 CO 0.06 0.07 0.17 -0.69 -1.91 0.00 0.00 174.94 172.65 2ipi s VAL 234 N 1.36 5.23 -0.02 4.00 1.01 0.14 -1.76 120.40 130.36 2ipi s VAL 234 Ca -0.01 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.16 2ipi s VAL 234 Cb -0.18 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 2ipi s VAL 234 CO -0.01 0.29 -0.16 -0.89 0.00 0.00 0.00 175.10 174.32 2ipi s THR 235 N 1.50 1.31 -0.12 3.92 2.01 -0.33 0.57 115.64 124.50 2ipi s THR 235 Ca 0.07 -0.70 0.02 0.00 0.31 0.00 0.00 61.69 61.39 2ipi s THR 235 Cb -0.15 -1.09 -0.00 0.00 0.01 0.00 0.00 72.50 71.26 2ipi s THR 235 CO 0.08 0.37 -0.19 0.26 -0.69 0.00 0.00 174.62 174.45 2ipi s TRP 236 N -0.32 2.69 0.11 4.92 0.51 -0.85 -0.86 118.94 125.13 2ipi s TRP 236 Ca 0.05 -0.95 -0.30 0.00 -2.12 0.00 0.00 56.10 52.78 2ipi s TRP 236 Cb -0.07 -1.79 -0.06 0.00 -0.81 0.00 0.00 33.47 30.74 2ipi s TRP 236 CO -0.00 -0.38 1.01 -0.51 -0.51 0.00 0.00 176.95 176.55 2ipi s ASP 237 N 0.47 7.42 0.52 2.95 1.11 -1.26 -1.75 116.67 126.12 2ipi s ASP 237 Ca -0.13 1.86 0.17 0.00 0.18 0.00 0.00 52.55 54.63 2ipi s ASP 237 Cb -0.17 -2.59 1.31 0.00 1.07 0.00 0.00 42.92 42.54 2ipi s ASP 237 CO 0.05 -0.14 2.14 -0.50 1.18 0.00 0.00 175.17 177.91 2ipi h TRP 238 N 5.66 0.00 -0.04 4.23 4.06 -0.84 -0.42 115.95 128.60 2ipi h TRP 238 Ca -0.43 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.53 2ipi h TRP 238 Cb 1.21 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.37 2ipi h TRP 238 CO 0.65 0.00 0.06 0.66 -3.56 0.00 0.00 178.44 176.25 2ipi h SER 239 N 0.00 0.00 -0.01 -3.49 4.64 -1.92 -1.72 113.55 111.05 2ipi h SER 239 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2ipi h SER 239 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2ipi h SER 239 CO -0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 176.83 175.62 2ipi n ALA 240 N -2.24 3.22 -2.68 5.18 0.00 -0.18 -4.93 120.51 118.87 2ipi n ALA 240 Ca -0.02 -0.59 -0.40 0.00 0.00 0.00 0.00 53.44 52.43 2ipi n ALA 240 Cb 0.14 -0.66 -0.05 0.00 0.00 0.00 0.00 19.45 18.88 2ipi n ALA 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ipi s LEU 241 N -2.14 4.19 0.33 0.00 1.43 -0.65 -4.92 118.68 116.91 2ipi s LEU 241 Ca 0.16 0.97 0.08 0.00 -1.03 0.00 0.00 54.13 54.32 2ipi s LEU 241 Cb 0.15 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.34 2ipi s LEU 241 CO 0.44 -0.26 0.12 -0.89 0.23 0.00 0.00 176.35 175.99 2ipi s THR 242 N 1.70 3.13 0.25 5.49 2.01 -1.26 -4.98 115.64 121.96 2ipi s THR 242 Ca 0.32 -1.73 -0.04 0.00 0.31 0.00 0.00 61.69 60.55 2ipi s THR 242 Cb -0.16 -2.97 0.22 0.00 0.01 0.00 0.00 72.50 69.60 2ipi s THR 242 CO 0.12 -0.22 1.80 -0.08 -0.69 0.00 0.00 174.62 175.55 2ipi h GLU 243 N 1.61 0.72 -0.89 4.92 4.81 -1.99 -0.30 114.58 123.45 2ipi h GLU 243 Ca -0.44 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 58.80 2ipi h GLU 243 Cb 1.25 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 30.41 2ipi h GLU 243 CO 0.63 0.47 0.58 0.93 -0.73 0.00 0.00 179.01 180.90 2ipi h GLU 244 N 0.74 1.01 -0.00 1.92 5.08 -1.99 0.13 114.58 121.47 2ipi h GLU 244 Ca 0.41 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.57 2ipi h GLU 244 Cb 0.42 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 29.45 2ipi h GLU 244 CO -0.27 0.67 -0.53 0.00 -1.00 0.00 0.00 179.01 177.88 2ipi h ALA 245 N 1.50 0.07 -0.73 3.43 0.00 -1.61 -3.04 119.26 118.88 2ipi h ALA 245 Ca 0.38 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2ipi h ALA 245 Cb 0.15 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2ipi h ALA 245 CO -0.13 0.30 0.28 0.35 0.00 0.00 0.00 179.25 180.05 2ipi h PHE 246 N -0.18 1.12 -0.44 0.00 3.57 -0.82 -2.45 116.94 117.73 2ipi h PHE 246 Ca -0.07 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.31 2ipi h PHE 246 Cb 1.25 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 2ipi h PHE 246 CO 0.15 0.86 0.15 1.15 -2.23 0.00 0.00 178.31 178.40 2ipi h THR 247 N 1.05 1.21 -0.17 4.41 2.02 -0.83 -1.77 112.91 118.83 2ipi h THR 247 Ca 0.24 -0.69 -0.19 0.00 0.77 0.00 0.00 66.41 66.54 2ipi h THR 247 Cb 0.23 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 2ipi h THR 247 CO -0.02 0.25 -0.65 0.03 0.37 0.00 0.00 175.52 175.51 2ipi h ARG 248 N 0.58 0.64 -0.47 6.66 2.47 -1.42 -2.27 114.38 120.56 2ipi h ARG 248 Ca 0.15 -0.46 0.09 0.00 -1.26 0.00 0.00 59.98 58.50 2ipi h ARG 248 Cb 0.24 0.07 -0.09 0.00 -1.65 0.00 0.00 29.97 28.54 2ipi h ARG 248 CO -0.01 1.08 -0.14 0.82 0.56 0.00 0.00 179.97 182.28 2ipi h ILE 249 N 0.47 0.49 -0.91 2.04 2.04 -1.25 0.45 117.51 120.84 2ipi h ILE 249 Ca -0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.86 2ipi h ILE 249 Cb 1.23 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.75 2ipi h ILE 249 CO 0.13 0.00 0.60 0.40 0.00 0.00 0.00 178.15 179.28 2ipi h ILE 250 N -0.03 1.20 -0.36 -0.67 1.08 -1.22 -1.67 117.51 115.84 2ipi h ILE 250 Ca 0.23 -0.41 -0.14 0.00 -0.39 0.00 0.00 64.86 64.14 2ipi h ILE 250 Cb 0.37 -0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.01 2ipi h ILE 250 CO -0.50 0.22 -0.34 0.44 -0.69 0.00 0.00 178.15 177.28 2ipi h ASP 251 N 1.20 0.92 -0.53 1.72 3.32 -0.11 -1.78 116.42 121.16 2ipi h ASP 251 Ca 0.34 -0.46 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 2ipi h ASP 251 Cb -0.08 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.19 2ipi h ASP 251 CO -0.09 1.19 0.14 0.78 -1.72 0.00 0.00 179.24 179.54 2ipi h ASN 252 N 0.66 0.80 -0.02 6.45 2.35 0.01 -2.30 115.58 123.53 2ipi h ASN 252 Ca 0.06 -0.23 0.03 0.00 -0.55 0.00 0.00 56.30 55.62 2ipi h ASN 252 Cb 0.92 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 39.04 2ipi h ASN 252 CO 0.09 0.82 -0.25 -0.74 -1.65 0.00 0.00 177.43 175.70 2ipi h HIS 253 N 0.74 -0.66 -0.53 1.19 2.76 -1.16 -1.13 115.15 116.37 2ipi h HIS 253 Ca 0.17 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.34 2ipi h HIS 253 Cb 0.32 0.29 -0.02 0.00 1.55 0.00 0.00 27.41 29.55 2ipi h HIS 253 CO 0.02 -0.33 0.24 0.78 -1.30 0.00 0.00 177.93 177.33 2ipi h GLY 254 N -0.37 0.83 1.48 5.26 0.00 -1.26 -2.55 103.07 106.46 2ipi h GLY 254 Ca 0.07 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 2ipi h GLY 254 CO -0.24 0.41 0.14 0.00 0.00 0.00 0.00 176.54 176.85 2ipi h ALA 255 N 1.08 1.39 -0.34 3.60 0.00 -1.33 -1.99 119.26 121.67 2ipi h ALA 255 Ca 0.18 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2ipi h ALA 255 Cb 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2ipi h ALA 255 CO -0.02 0.45 0.02 2.35 0.00 0.00 0.00 179.25 182.04 2ipi h TRP 256 N 0.66 0.63 0.00 0.00 7.01 -0.82 -3.02 115.95 120.41 2ipi h TRP 256 Ca 0.15 -0.10 -0.05 0.00 2.11 0.00 0.00 58.89 61.01 2ipi h TRP 256 Cb 0.20 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.09 2ipi h TRP 256 CO 0.01 0.68 -0.22 0.45 -2.79 0.00 0.00 178.44 176.58 2ipi h HIS 257 N 0.39 0.00 0.00 2.65 3.86 -1.18 -0.01 115.15 120.86 2ipi h HIS 257 Ca 0.10 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.26 2ipi h HIS 257 Cb 0.42 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 2ipi h HIS 257 CO 0.03 0.22 -0.22 0.37 0.86 0.00 0.00 177.93 179.19 2ipi h GLN 258 N 0.00 0.00 -0.02 2.45 4.15 -1.24 -3.11 115.11 117.34 2ipi h GLN 258 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2ipi h GLN 258 Cb 0.40 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.09 2ipi h GLN 258 CO 0.03 0.22 -0.26 0.43 -1.93 0.00 0.00 178.83 177.31 2ipi n SER 259 N -3.28 2.14 -3.16 -0.69 7.64 -0.77 -4.58 113.62 110.91 2ipi n SER 259 Ca 0.01 -1.57 -0.20 0.00 1.01 0.00 0.00 58.87 58.12 2ipi n SER 259 Cb 0.48 0.24 -0.04 0.00 -1.01 0.00 0.00 64.21 63.89 2ipi n SER 259 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2ipi n ASN 260 N 0.32 1.25 0.04 6.43 3.02 -0.09 -4.99 115.26 121.24 2ipi n ASN 260 Ca 0.12 -3.06 0.00 0.00 -0.03 0.00 0.00 54.58 51.61 2ipi n ASN 260 Cb 0.48 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 2ipi n ASN 260 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2ipi n SER 261 N 0.37 0.27 -4.72 6.41 3.41 -1.22 -4.78 113.62 113.35 2ipi n SER 261 Ca 0.25 0.13 -0.42 0.00 -0.26 0.00 0.00 58.87 58.57 2ipi n SER 261 Cb 0.61 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.51 2ipi n SER 261 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ipi s ALA 262 N -2.00 3.72 0.30 7.33 0.00 -1.26 0.11 121.76 129.95 2ipi s ALA 262 Ca 0.00 1.31 -0.19 0.00 0.00 0.00 0.00 51.96 53.07 2ipi s ALA 262 Cb 0.00 -3.59 0.05 0.00 0.00 0.00 0.00 23.12 19.58 2ipi s ALA 262 CO 0.00 -0.73 0.84 0.00 0.00 0.00 0.00 175.76 175.86 2ipi s ALA 263 N 0.98 -1.12 -0.36 0.00 0.00 -1.23 -4.67 121.76 115.36 2ipi s ALA 263 Ca 0.67 -0.47 0.13 0.00 0.00 0.00 0.00 51.96 52.29 2ipi s ALA 263 Cb -0.42 0.73 0.42 0.00 0.00 0.00 0.00 23.12 23.85 2ipi s ALA 263 CO 0.33 -1.02 1.23 0.41 0.00 0.00 0.00 175.76 176.70 2ipi n GLY 264 N -0.54 1.46 3.23 0.00 0.00 -1.26 -3.75 105.19 104.34 2ipi n GLY 264 Ca -0.06 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 2ipi n GLY 264 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ipi s THR 265 N -1.07 0.69 0.18 2.61 -4.23 -1.26 -5.05 115.64 107.51 2ipi s THR 265 Ca 0.23 -1.98 -0.24 0.00 -1.18 0.00 0.00 61.69 58.52 2ipi s THR 265 Cb 0.42 -2.06 0.08 0.00 1.34 0.00 0.00 72.50 72.27 2ipi s THR 265 CO -0.05 -0.53 1.56 -0.65 -0.54 0.00 0.00 174.62 174.42 2ipi h PRO 266 N 2.73 -0.12 0.00 3.99 0.11 -2.01 -0.95 132.00 135.75 2ipi h PRO 266 Ca -0.36 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.75 2ipi h PRO 266 Cb 1.20 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2ipi h PRO 266 CO 0.63 -0.08 -0.01 1.88 -0.21 0.00 0.00 178.00 180.20 2ipi h TYR 267 N -0.13 0.00 0.00 0.65 0.05 -1.95 -1.19 116.97 114.40 2ipi h TYR 267 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.00 2ipi h TYR 267 Cb 0.55 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.29 2ipi h TYR 267 CO -0.80 0.01 0.00 0.00 -1.05 0.00 0.00 178.16 176.32 2ipi h ALA 268 N 1.99 1.00 -0.00 3.88 0.00 -1.48 0.33 119.26 124.97 2ipi h ALA 268 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ipi h ALA 268 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2ipi h ALA 268 CO 0.00 0.00 -0.42 0.43 0.00 0.00 0.00 179.25 179.26 2ipi n SER 269 N -2.76 0.49 -4.78 0.00 7.64 -0.45 -1.91 113.62 111.86 2ipi n SER 269 Ca -0.02 -0.24 -0.39 0.00 1.01 0.00 0.00 58.87 59.23 2ipi n SER 269 Cb 0.09 0.16 -0.06 0.00 -1.01 0.00 0.00 64.21 63.39 2ipi n SER 269 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2ipi s MET 270 N -2.95 4.56 0.17 1.43 0.00 0.12 -4.24 119.30 118.39 2ipi s MET 270 Ca 0.13 1.15 0.09 0.00 0.00 0.00 0.00 55.69 57.06 2ipi s MET 270 Cb 0.18 -3.27 -0.04 0.00 0.00 0.00 0.00 34.83 31.70 2ipi s MET 270 CO 0.66 0.56 -0.18 -1.58 0.00 0.00 0.00 175.02 174.48 2ipi s HIS 271 N -1.08 1.84 0.03 4.11 2.46 -0.83 -4.87 115.29 116.95 2ipi s HIS 271 Ca 0.36 -0.46 -0.14 0.00 0.47 0.00 0.00 55.06 55.28 2ipi s HIS 271 Cb -0.23 -0.92 0.02 0.00 -0.13 0.00 0.00 32.58 31.33 2ipi s HIS 271 CO 0.26 0.34 0.30 -1.54 -2.47 0.00 0.00 174.74 171.64 2ipi s SER 272 N -2.69 -0.14 -0.09 9.88 1.04 -1.26 -2.26 113.70 118.18 2ipi s SER 272 Ca 0.16 -0.13 -0.00 0.00 0.48 0.00 0.00 55.95 56.46 2ipi s SER 272 Cb -0.06 0.35 0.02 0.00 0.10 0.00 0.00 66.02 66.43 2ipi s SER 272 CO 0.07 -0.57 -0.06 -0.69 0.98 0.00 0.00 173.24 172.97 2ipi s VAL 273 N -2.25 0.82 -0.38 5.02 1.01 -1.13 -1.10 120.40 122.39 2ipi s VAL 273 Ca -0.07 -0.18 -0.12 0.00 0.00 0.00 0.00 61.98 61.61 2ipi s VAL 273 Cb -0.02 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.51 2ipi s VAL 273 CO -0.01 0.33 0.23 0.12 0.00 0.00 0.00 175.10 175.77 2ipi s PHE 274 N 1.64 3.24 -0.87 5.22 5.99 0.16 -2.02 117.98 131.34 2ipi s PHE 274 Ca 0.02 -0.83 -0.20 0.00 0.00 0.00 0.00 56.93 55.92 2ipi s PHE 274 Cb -0.13 -2.48 0.11 0.00 0.00 0.00 0.00 43.02 40.53 2ipi s PHE 274 CO -0.06 -0.62 1.10 0.71 -0.00 0.00 0.00 175.22 176.35 2ipi s TYR 275 N 1.59 3.00 -1.22 10.12 1.51 -0.06 -1.15 117.35 131.14 2ipi s TYR 275 Ca 0.03 -1.19 -0.16 0.00 -1.01 0.00 0.00 57.07 54.74 2ipi s TYR 275 Cb -0.19 -4.30 0.13 0.00 -0.11 0.00 0.00 41.96 37.49 2ipi s TYR 275 CO 0.08 -1.54 1.53 -0.51 -1.11 0.00 0.00 175.55 174.00 2ipi s LEU 276 N 3.08 4.56 0.79 -1.29 1.43 0.18 -2.39 118.68 125.03 2ipi s LEU 276 Ca 0.31 -2.70 -0.11 0.00 -1.03 0.00 0.00 54.13 50.60 2ipi s LEU 276 Cb -0.07 -2.47 0.07 0.00 0.03 0.00 0.00 46.19 43.74 2ipi s LEU 276 CO -0.05 -0.94 1.09 0.20 0.23 0.00 0.00 176.35 176.88 2ipi s ASN 277 N 3.45 4.40 0.75 2.29 0.01 -1.26 -2.37 114.94 122.20 2ipi s ASN 277 Ca 0.46 1.72 -0.11 0.00 -0.71 0.00 0.00 52.86 54.22 2ipi s ASN 277 Cb -0.00 -2.43 0.04 0.00 0.41 0.00 0.00 41.25 39.26 2ipi s ASN 277 CO 0.02 -2.09 1.08 -0.44 -1.51 0.00 0.00 177.10 174.17 2ipi s SER 278 N -3.46 4.98 0.00 -1.22 0.01 -1.09 -4.81 113.70 108.12 2ipi s SER 278 Ca 0.61 1.35 0.00 0.00 1.31 0.00 0.00 55.95 59.22 2ipi s SER 278 Cb -0.17 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 63.92 2ipi s SER 278 CO 0.56 -1.66 0.39 -1.14 0.41 0.00 0.00 173.24 171.80 2ipi n ARG 279 N -3.24 0.42 -0.00 12.44 0.63 -0.31 -0.58 116.66 126.03 2ipi n ARG 279 Ca 0.07 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.01 2ipi n ARG 279 Cb 0.56 -1.28 -0.02 0.00 0.45 0.00 0.00 32.46 32.17 2ipi n ARG 279 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2ipi n ALA 280 N 0.72 2.18 0.11 5.13 0.00 -1.26 -4.64 120.51 122.74 2ipi n ALA 280 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2ipi n ALA 280 Cb 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 19.45 19.54 2ipi n ALA 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ipi h ALA 281 N 0.27 0.61 0.00 0.00 0.00 -1.20 -3.48 119.26 115.45 2ipi h ALA 281 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2ipi h ALA 281 Cb 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2ipi h ALA 281 CO 0.00 0.80 0.00 0.41 0.00 0.00 0.00 179.25 180.46 2ipi n GLY 282 N 1.27 3.03 3.25 0.00 0.00 -1.23 -4.98 105.19 106.53 2ipi n GLY 282 Ca 0.00 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 2ipi n GLY 282 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ipi s GLN 283 N 0.00 0.93 0.03 1.61 -2.07 -1.26 -0.08 119.66 118.82 2ipi s GLN 283 Ca 0.00 -0.87 -0.00 0.00 -1.82 0.00 0.00 55.36 52.66 2ipi s GLN 283 Cb 0.00 0.39 -0.04 0.00 -1.09 0.00 0.00 33.01 32.27 2ipi s GLN 283 CO 0.00 -0.32 0.15 0.96 -1.32 0.00 0.00 175.29 174.76 2ipi s ILE 284 N -3.84 5.10 -0.03 3.63 -4.36 -0.72 -4.39 121.20 116.60 2ipi s ILE 284 Ca 0.04 -0.41 0.01 0.00 -0.26 0.00 0.00 60.65 60.04 2ipi s ILE 284 Cb 0.04 -3.43 0.01 0.00 1.25 0.00 0.00 42.46 40.33 2ipi s ILE 284 CO -0.11 0.23 -0.05 -0.22 0.24 0.00 0.00 174.94 175.03 2ipi s LEU 285 N -2.19 1.58 -0.30 0.37 0.20 -1.01 -2.01 118.68 115.33 2ipi s LEU 285 Ca 0.29 -0.11 -0.09 0.00 0.69 0.00 0.00 54.13 54.92 2ipi s LEU 285 Cb -0.13 -0.37 -0.00 0.00 -0.43 0.00 0.00 46.19 45.26 2ipi s LEU 285 CO 0.22 -0.01 0.13 -0.22 -0.29 0.00 0.00 176.35 176.17 2ipi s LEU 286 N 0.51 3.98 -0.41 -0.68 0.20 0.19 -0.88 118.68 121.59 2ipi s LEU 286 Ca -0.06 -0.54 -0.09 0.00 0.69 0.00 0.00 54.13 54.13 2ipi s LEU 286 Cb -0.10 -1.96 0.07 0.00 -0.43 0.00 0.00 46.19 43.77 2ipi s LEU 286 CO -0.00 -0.18 0.24 -0.62 -0.29 0.00 0.00 176.35 175.50 2ipi s ASP 287 N 1.58 5.60 -0.05 3.68 3.68 -0.86 0.25 116.67 130.56 2ipi s ASP 287 Ca 0.04 -1.44 0.06 0.00 2.13 0.00 0.00 52.55 53.34 2ipi s ASP 287 Cb -0.17 -1.97 -0.02 0.00 -1.45 0.00 0.00 42.92 39.31 2ipi s ASP 287 CO 0.05 -0.50 -0.22 0.27 0.13 0.00 0.00 175.17 174.89 2ipi s ILE 288 N 1.42 2.32 0.07 4.11 -4.36 0.15 -2.85 121.20 122.05 2ipi s ILE 288 Ca 0.03 -0.98 0.01 0.00 -0.26 0.00 0.00 60.65 59.44 2ipi s ILE 288 Cb -0.22 -1.86 -0.04 0.00 1.25 0.00 0.00 42.46 41.59 2ipi s ILE 288 CO 0.02 0.57 -0.05 0.00 0.24 0.00 0.00 174.94 175.73 2ipi s GLN 289 N -0.33 0.67 0.24 0.37 -2.07 -0.96 -0.46 119.66 117.13 2ipi s GLN 289 Ca 0.02 -1.17 -0.20 0.00 -1.82 0.00 0.00 55.36 52.18 2ipi s GLN 289 Cb -0.12 -0.03 0.03 0.00 -1.09 0.00 0.00 33.01 31.79 2ipi s GLN 289 CO 0.02 -0.05 0.65 -1.50 -1.32 0.00 0.00 175.29 173.09 2ipi s ILE 290 N -3.34 0.00 -0.26 3.63 2.07 -0.66 -1.96 121.20 120.69 2ipi s ILE 290 Ca 0.06 -0.84 -0.28 0.00 -1.41 0.00 0.00 60.65 58.18 2ipi s ILE 290 Cb 0.04 -1.79 -0.04 0.00 0.13 0.00 0.00 42.46 40.80 2ipi s ILE 290 CO -0.06 -0.02 2.04 -0.62 -1.91 0.00 0.00 174.94 174.37 2ipi s ASP 291 N -2.89 5.65 0.56 4.50 -1.08 -1.26 -1.50 116.67 120.64 2ipi s ASP 291 Ca 0.10 1.65 0.26 0.00 -0.52 0.00 0.00 52.55 54.04 2ipi s ASP 291 Cb -0.04 -2.52 1.48 0.00 -1.46 0.00 0.00 42.92 40.38 2ipi s ASP 291 CO 0.02 -1.85 2.04 1.23 0.52 0.00 0.00 175.17 177.14 2ipi h GLY 292 N 14.44 0.00 1.54 2.66 0.00 -1.41 -1.18 103.07 119.13 2ipi h GLY 292 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2ipi h GLY 292 CO 0.99 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.14 2ipi n GLY 293 N -1.53 -1.14 3.83 4.60 0.00 -1.26 -4.88 105.19 104.81 2ipi n GLY 293 Ca 0.05 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 2ipi n GLY 293 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2ipi s LEU 294 N -2.54 4.13 0.38 0.99 0.05 -0.45 -4.98 118.68 116.26 2ipi s LEU 294 Ca 0.26 1.38 -0.26 0.00 0.05 0.00 0.00 54.13 55.55 2ipi s LEU 294 Cb 0.18 -4.00 -0.09 0.00 -2.05 0.00 0.00 46.19 40.23 2ipi s LEU 294 CO 0.40 -0.16 1.24 -1.81 -0.55 0.00 0.00 176.35 175.48 2ipi s ASP 295 N -2.08 6.54 -1.07 1.48 -0.00 -1.26 -1.99 116.67 118.28 2ipi s ASP 295 Ca 0.52 2.53 0.00 0.00 -0.00 0.00 0.00 52.55 55.60 2ipi s ASP 295 Cb -0.12 -2.63 0.00 0.00 -0.00 0.00 0.00 42.92 40.17 2ipi s ASP 295 CO 0.18 -0.68 0.00 0.61 -0.00 0.00 0.00 175.17 175.28 2ipi n GLY 296 N 0.72 1.07 0.39 0.21 0.00 -1.26 -4.89 105.19 101.43 2ipi n GLY 296 Ca 0.03 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 2ipi n GLY 296 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ipi h ALA 297 N 0.00 -0.50 -1.00 4.61 0.00 -1.75 0.11 119.26 120.74 2ipi h ALA 297 Ca -0.21 0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.80 2ipi h ALA 297 Cb 0.93 0.82 -0.07 0.00 0.00 0.00 0.00 17.79 19.47 2ipi h ALA 297 CO 0.30 -0.89 0.64 0.93 0.00 0.00 0.00 179.25 180.24 2ipi h GLU 298 N -0.41 1.11 -0.73 0.00 4.39 -1.90 -2.03 114.58 115.01 2ipi h GLU 298 Ca 0.11 -0.07 0.05 0.00 0.34 0.00 0.00 59.36 59.79 2ipi h GLU 298 Cb 0.60 -0.25 -0.05 0.00 -0.10 0.00 0.00 28.75 28.95 2ipi h GLU 298 CO -0.48 0.74 0.44 0.00 -1.16 0.00 0.00 179.01 178.55 2ipi h ALA 299 N 1.47 0.98 -0.21 3.43 0.00 -1.26 -2.04 119.26 121.63 2ipi h ALA 299 Ca 0.44 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.18 2ipi h ALA 299 Cb 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2ipi h ALA 299 CO -0.18 0.18 -0.53 -0.07 0.00 0.00 0.00 179.25 178.65 2ipi h LEU 300 N 0.84 0.68 -1.10 0.00 4.07 -0.27 0.64 115.31 120.16 2ipi h LEU 300 Ca 0.31 -0.36 -0.04 0.00 0.08 0.00 0.00 57.88 57.88 2ipi h LEU 300 Cb 0.11 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.63 2ipi h LEU 300 CO -0.15 1.08 0.21 -0.07 -1.08 0.00 0.00 178.44 178.43 2ipi h LEU 301 N 0.47 0.77 -0.56 1.67 4.07 -1.27 0.22 115.31 120.69 2ipi h LEU 301 Ca 0.01 -0.11 -0.12 0.00 0.08 0.00 0.00 57.88 57.74 2ipi h LEU 301 Cb 1.08 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.61 2ipi h LEU 301 CO 0.10 0.71 -0.58 -0.55 -1.08 0.00 0.00 178.44 177.04 2ipi h ASN 302 N 0.82 0.00 -0.27 -0.43 7.08 -1.16 -2.13 115.58 119.49 2ipi h ASN 302 Ca 0.19 0.00 0.03 0.00 -3.08 0.00 0.00 56.30 53.44 2ipi h ASN 302 Cb 0.20 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.41 2ipi h ASN 302 CO -0.01 0.58 0.11 0.44 -2.08 0.00 0.00 177.43 176.47 2ipi h ASP 303 N 0.00 0.13 0.22 6.14 5.19 0.14 -0.02 116.42 128.22 2ipi h ASP 303 Ca -0.01 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 2ipi h ASP 303 Cb 1.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 2ipi h ASP 303 CO 0.08 0.11 -0.10 0.15 -3.12 0.00 0.00 179.24 176.35 2ipi h PHE 304 N 0.24 -0.27 -0.16 4.55 -0.00 -0.72 -2.94 116.94 117.64 2ipi h PHE 304 Ca 0.12 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.97 58.07 2ipi h PHE 304 Cb 0.07 0.09 -0.01 0.00 -0.00 0.00 0.00 35.95 36.10 2ipi h PHE 304 CO -0.12 0.10 0.03 -0.39 -0.00 0.00 0.00 178.31 177.93 2ipi h VAL 305 N -0.73 1.09 -0.33 1.41 -1.51 -1.31 -0.72 116.25 114.15 2ipi h VAL 305 Ca -0.03 -0.32 -0.15 0.00 -1.23 0.00 0.00 66.70 64.96 2ipi h VAL 305 Cb 0.50 0.94 -0.01 0.00 -2.13 0.00 0.00 31.29 30.59 2ipi h VAL 305 CO 0.05 0.11 -0.41 0.00 -1.23 0.00 0.00 177.57 176.09 2ipi h ALA 306 N 1.81 0.65 -0.26 5.19 0.00 -1.04 -2.92 119.26 122.69 2ipi h ALA 306 Ca 0.06 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 2ipi h ALA 306 Cb 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2ipi h ALA 306 CO -0.00 0.67 0.03 0.00 0.00 0.00 0.00 179.25 179.95 2ipi h ALA 307 N 0.87 1.57 -0.14 0.00 0.00 -0.98 -2.45 119.26 118.13 2ipi h ALA 307 Ca 0.05 -0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.63 2ipi h ALA 307 Cb 0.98 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.66 2ipi h ALA 307 CO 0.09 0.32 -0.68 0.28 0.00 0.00 0.00 179.25 179.27 2ipi h VAL 308 N 0.38 1.30 -1.30 0.00 2.07 -1.13 -3.21 116.25 114.36 2ipi h VAL 308 Ca 0.09 -1.91 -0.61 0.00 0.82 0.00 0.00 66.70 65.09 2ipi h VAL 308 Cb 0.20 2.04 -0.39 0.00 -1.52 0.00 0.00 31.29 31.62 2ipi h VAL 308 CO 0.00 0.60 -0.41 -0.46 0.02 0.00 0.00 177.57 177.32 2ipi n ASN 309 N -4.04 5.36 -0.00 0.57 0.23 -1.13 -4.45 115.26 111.80 2ipi n ASN 309 Ca -0.08 -3.75 -0.13 0.00 -0.53 0.00 0.00 54.58 50.10 2ipi n ASN 309 Cb 0.69 -0.54 -0.08 0.00 -2.08 0.00 0.00 39.78 37.77 2ipi n ASN 309 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2ipi h GLU 310 N 2.47 -0.47 -0.40 -3.83 4.57 -1.44 -3.12 114.58 112.36 2ipi h GLU 310 Ca 0.38 0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.59 2ipi h GLU 310 Cb 0.99 0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.68 2ipi h GLU 310 CO 0.95 -0.31 0.00 0.41 -1.18 0.00 0.00 179.01 178.88 2ipi n GLY 311 N -1.36 3.61 3.80 1.92 0.00 -1.26 -4.99 105.19 106.91 2ipi n GLY 311 Ca -0.05 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 2ipi n GLY 311 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ipi s THR 312 N -2.81 3.51 -1.91 2.61 2.01 -1.18 -4.94 115.64 112.92 2ipi s THR 312 Ca 0.48 0.49 0.22 0.00 0.31 0.00 0.00 61.69 63.18 2ipi s THR 312 Cb 0.38 -3.18 0.64 0.00 0.01 0.00 0.00 72.50 70.35 2ipi s THR 312 CO 0.12 -0.64 1.54 0.61 -0.69 0.00 0.00 174.62 175.55 2ipi n GLY 313 N -1.86 2.39 3.21 4.40 0.00 -1.26 -4.93 105.19 107.15 2ipi n GLY 313 Ca 0.08 -0.78 -0.23 0.00 0.00 0.00 0.00 46.02 45.08 2ipi n GLY 313 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ipi s VAL 314 N -1.12 1.43 -0.12 1.61 -7.23 -1.26 -5.13 120.40 108.57 2ipi s VAL 314 Ca 0.48 -1.16 0.02 0.00 -1.81 0.00 0.00 61.98 59.51 2ipi s VAL 314 Cb 0.26 -1.27 -0.01 0.00 0.56 0.00 0.00 36.38 35.92 2ipi s VAL 314 CO 0.32 0.08 -0.18 -0.70 -0.31 0.00 0.00 175.10 174.30 2ipi s GLU 315 N -1.26 3.22 0.76 4.82 2.12 -1.26 -5.03 118.70 122.08 2ipi s GLU 315 Ca 0.05 -0.78 -0.09 0.00 0.36 0.00 0.00 54.97 54.51 2ipi s GLU 315 Cb -0.09 -2.47 0.08 0.00 0.26 0.00 0.00 34.13 31.91 2ipi s GLU 315 CO 0.02 0.19 1.10 -1.25 -0.54 0.00 0.00 175.26 174.78 2ipi s PRO 316 N 0.35 2.02 0.23 4.30 0.04 -1.26 -4.89 135.00 135.80 2ipi s PRO 316 Ca -0.15 -0.12 -0.06 0.00 0.04 0.00 0.00 61.00 60.72 2ipi s PRO 316 Cb -0.17 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.25 2ipi s PRO 316 CO 0.07 -1.45 0.49 0.00 0.04 0.00 0.00 177.00 176.16 2ipi s ALA 317 N -3.41 3.67 -0.06 8.56 0.00 -0.04 -4.89 121.76 125.59 2ipi s ALA 317 Ca 0.62 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.06 2ipi s ALA 317 Cb -0.10 -2.26 0.02 0.00 0.00 0.00 0.00 23.12 20.78 2ipi s ALA 317 CO 0.47 0.42 -0.03 0.08 0.00 0.00 0.00 175.76 176.70 2ipi s VAL 318 N -1.90 0.53 -0.14 0.00 1.01 -1.26 -1.19 120.40 117.46 2ipi s VAL 318 Ca 0.44 -0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.34 2ipi s VAL 318 Cb -0.11 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 2ipi s VAL 318 CO 0.26 0.25 -0.12 -1.10 0.00 0.00 0.00 175.10 174.39 2ipi s GLN 319 N 1.28 3.39 0.08 2.72 -0.21 -0.72 -4.95 119.66 121.25 2ipi s GLN 319 Ca -0.05 -0.68 0.04 0.00 0.02 0.00 0.00 55.36 54.68 2ipi s GLN 319 Cb -0.14 -2.66 -0.04 0.00 1.00 0.00 0.00 33.01 31.18 2ipi s GLN 319 CO -0.02 0.18 0.04 1.03 -2.12 0.00 0.00 175.29 174.41 2ipi s ARG 320 N 0.43 2.75 -0.13 2.91 0.52 -1.26 -1.34 118.95 122.83 2ipi s ARG 320 Ca -0.10 -0.74 -0.29 0.00 -0.52 0.00 0.00 55.73 54.09 2ipi s ARG 320 Cb -0.16 -2.66 0.09 0.00 0.52 0.00 0.00 34.95 32.75 2ipi s ARG 320 CO 0.05 0.56 0.81 -1.54 0.02 0.00 0.00 175.30 175.20 2ipi s SER 321 N -2.29 -0.57 -0.04 0.23 1.04 -0.89 -5.03 113.70 106.16 2ipi s SER 321 Ca 0.27 0.74 0.04 0.00 0.48 0.00 0.00 55.95 57.48 2ipi s SER 321 Cb -0.12 0.63 -0.00 0.00 0.10 0.00 0.00 66.02 66.63 2ipi s SER 321 CO 0.20 -0.44 -0.16 0.28 0.98 0.00 0.00 173.24 174.10 2ipi s THR 322 N -0.82 1.30 0.10 2.02 -1.32 -1.26 -1.67 115.64 113.98 2ipi s THR 322 Ca -0.05 -0.65 -0.08 0.00 -1.21 0.00 0.00 61.69 59.70 2ipi s THR 322 Cb -0.01 -1.11 -0.01 0.00 -1.51 0.00 0.00 72.50 69.85 2ipi s THR 322 CO 0.05 0.38 0.18 -1.61 -2.21 0.00 0.00 174.62 171.40 2ipi s GLU 323 N -0.00 0.88 0.53 7.08 0.41 -1.08 -5.00 118.70 121.52 2ipi s GLU 323 Ca -0.02 -1.05 -0.19 0.00 -0.41 0.00 0.00 54.97 53.29 2ipi s GLU 323 Cb -0.10 0.33 -0.06 0.00 -1.78 0.00 0.00 34.13 32.51 2ipi s GLU 323 CO 0.01 -0.28 1.10 -2.14 -0.49 0.00 0.00 175.26 173.46 2ipi s PRO 324 N -3.90 3.49 0.14 0.39 0.02 -1.26 -1.17 135.00 132.71 2ipi s PRO 324 Ca 0.08 1.51 -0.18 0.00 0.02 0.00 0.00 61.00 62.44 2ipi s PRO 324 Cb 0.05 -2.03 0.02 0.00 0.02 0.00 0.00 34.50 32.55 2ipi s PRO 324 CO -0.08 -0.72 1.72 2.35 -0.33 0.00 0.00 177.00 179.94 2ipi h TRP 325 N 1.27 0.04 -0.23 6.54 7.01 -1.84 -1.65 115.95 127.09 2ipi h TRP 325 Ca -0.50 0.02 -0.20 0.00 2.11 0.00 0.00 58.89 60.32 2ipi h TRP 325 Cb 1.25 0.02 0.01 0.00 -2.10 0.00 0.00 29.16 28.34 2ipi h TRP 325 CO 0.53 -0.01 -0.65 1.25 -2.79 0.00 0.00 178.44 176.77 2ipi h LEU 326 N 0.12 0.97 -1.14 0.65 5.85 -1.93 -0.43 115.31 119.40 2ipi h LEU 326 Ca 0.13 -0.58 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 2ipi h LEU 326 Cb 0.15 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 2ipi h LEU 326 CO -0.19 1.37 0.36 -0.09 -0.34 0.00 0.00 178.44 179.55 2ipi h ARG 327 N 0.62 0.96 -0.26 1.25 2.43 -1.94 0.76 114.38 118.20 2ipi h ARG 327 Ca -0.02 -0.11 -0.15 0.00 -0.81 0.00 0.00 59.98 58.89 2ipi h ARG 327 Cb 1.27 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2ipi h ARG 327 CO 0.14 0.72 -0.44 0.00 -1.51 0.00 0.00 179.97 178.88 2ipi h ALA 328 N 1.43 0.41 -0.30 2.80 0.00 -1.14 -2.64 119.26 119.82 2ipi h ALA 328 Ca 0.24 -0.47 -0.16 0.00 0.00 0.00 0.00 54.91 54.52 2ipi h ALA 328 Cb 0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2ipi h ALA 328 CO -0.04 0.54 -0.46 1.15 0.00 0.00 0.00 179.25 180.44 2ipi h THR 329 N 0.50 1.28 0.00 0.00 2.02 -0.55 -3.01 112.91 113.15 2ipi h THR 329 Ca 0.02 -1.65 0.00 0.00 0.77 0.00 0.00 66.41 65.55 2ipi h THR 329 Cb 1.04 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 2ipi h THR 329 CO 0.10 0.54 0.00 0.18 0.37 0.00 0.00 175.52 176.71 2ipi n LEU 330 N -4.02 0.20 -4.62 2.58 4.77 0.21 -4.72 117.00 111.40 2ipi n LEU 330 Ca -0.03 0.52 -0.43 0.00 -0.03 0.00 0.00 56.01 56.05 2ipi n LEU 330 Cb 0.57 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 2ipi n LEU 330 CO 0.48 -0.07 1.52 0.00 -1.33 0.00 0.00 177.39 178.00 2ipi s ALA 331 N -3.03 3.13 -0.93 -1.18 0.00 -1.00 -4.86 121.76 113.89 2ipi s ALA 331 Ca 0.13 0.61 -0.16 0.00 0.00 0.00 0.00 51.96 52.54 2ipi s ALA 331 Cb 0.17 -3.92 0.18 0.00 0.00 0.00 0.00 23.12 19.54 2ipi s ALA 331 CO 0.53 -2.19 1.03 0.54 0.00 0.00 0.00 175.76 175.67 2ipi s ASN 332 N 5.39 6.78 0.00 0.00 6.03 -1.26 -4.88 114.94 127.00 2ipi s ASN 332 Ca 0.81 -2.49 0.00 0.00 -1.03 0.00 0.00 52.86 50.15 2ipi s ASN 332 Cb -0.28 -2.32 0.00 0.00 -3.03 0.00 0.00 41.25 35.62 2ipi s ASN 332 CO 0.33 -0.79 0.23 0.29 -2.03 0.00 0.00 177.10 175.12 2ipi n LYS 333 N 5.23 0.38 -0.17 3.55 5.02 -1.26 -3.81 118.16 127.10 2ipi n LYS 333 Ca 0.22 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.57 2ipi n LYS 333 Cb 0.47 -1.15 0.09 0.00 -0.02 0.00 0.00 35.03 34.42 2ipi n LYS 333 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2ipi n PHE 334 N 0.14 0.00 -2.01 2.13 3.01 -1.26 -4.98 117.46 114.50 2ipi n PHE 334 Ca 0.00 -0.70 -0.43 0.00 1.01 0.00 0.00 57.45 57.34 2ipi n PHE 334 Cb 0.08 -0.11 -0.03 0.00 -0.01 0.00 0.00 39.48 39.40 2ipi n PHE 334 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2ipi s ASP 335 N -2.22 6.34 0.44 4.37 3.68 -1.25 -4.87 116.67 123.16 2ipi s ASP 335 Ca 0.21 1.84 0.19 0.00 2.13 0.00 0.00 52.55 56.92 2ipi s ASP 335 Cb 0.19 -2.53 1.04 0.00 -1.45 0.00 0.00 42.92 40.16 2ipi s ASP 335 CO 0.02 -1.26 1.94 0.00 0.13 0.00 0.00 175.17 176.01 2ipi h THR 336 N 6.11 0.94 -1.74 1.71 1.03 -1.94 -3.48 112.91 115.55 2ipi h THR 336 Ca -0.37 -0.88 -0.24 0.00 -0.01 0.00 0.00 66.41 64.91 2ipi h THR 336 Cb 1.17 1.51 -0.01 0.00 -1.07 0.00 0.00 68.15 69.75 2ipi h THR 336 CO 0.98 0.23 -0.31 0.61 -0.01 0.00 0.00 175.52 177.03 2ipi n GLY 337 N -0.60 -0.13 0.00 2.99 0.00 -1.26 -3.20 105.19 103.00 2ipi n GLY 337 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2ipi n GLY 337 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ipi n GLY 338 N -1.02 0.18 3.35 -0.02 0.00 -1.26 -5.00 105.19 101.42 2ipi n GLY 338 Ca -0.14 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.43 2ipi n GLY 338 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ipi s PHE 339 N -2.00 4.18 -1.34 1.61 0.08 -1.19 -4.44 117.98 114.87 2ipi s PHE 339 Ca 0.00 -2.60 0.12 0.00 0.12 0.00 0.00 56.93 54.57 2ipi s PHE 339 Cb 0.00 -3.88 0.06 0.00 -0.57 0.00 0.00 43.02 38.63 2ipi s PHE 339 CO 0.00 -0.99 0.81 -0.40 -0.10 0.00 0.00 175.22 174.54 2ipi n ASP 340 N 3.05 1.77 -4.69 1.36 3.85 -0.98 -4.51 116.55 116.39 2ipi n ASP 340 Ca 0.24 -1.38 -0.38 0.00 -0.71 0.00 0.00 54.79 52.56 2ipi n ASP 340 Cb 0.40 0.15 -0.07 0.00 -1.35 0.00 0.00 41.12 40.25 2ipi n ASP 340 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 2ipi s ARG 341 N -1.15 4.23 0.08 0.11 0.52 -0.84 -0.01 118.95 121.89 2ipi s ARG 341 Ca 0.12 0.25 -0.05 0.00 -0.52 0.00 0.00 55.73 55.54 2ipi s ARG 341 Cb 0.10 -3.49 -0.02 0.00 0.52 0.00 0.00 34.95 32.05 2ipi s ARG 341 CO 0.19 0.06 0.09 0.95 0.02 0.00 0.00 175.30 176.61 2ipi s THR 342 N 0.99 0.17 -0.03 0.02 -4.23 -1.26 -1.70 115.64 109.61 2ipi s THR 342 Ca 0.20 -1.53 0.01 0.00 -1.18 0.00 0.00 61.69 59.19 2ipi s THR 342 Cb -0.14 -1.51 0.02 0.00 1.34 0.00 0.00 72.50 72.21 2ipi s THR 342 CO 0.08 -0.77 -0.01 -0.75 -0.54 0.00 0.00 174.62 172.63 2ipi s LYS 343 N -3.91 0.33 0.16 3.99 2.47 -1.00 -4.96 119.74 116.82 2ipi s LYS 343 Ca 0.08 0.05 -0.01 0.00 -1.56 0.00 0.00 55.97 54.53 2ipi s LYS 343 Cb 0.06 -0.48 -0.04 0.00 -1.46 0.00 0.00 37.83 35.91 2ipi s LYS 343 CO -0.09 -0.11 0.08 -1.54 0.16 0.00 0.00 175.35 173.85 2ipi s SER 344 N 0.90 0.35 -0.13 1.43 1.04 -1.26 -2.75 113.70 113.29 2ipi s SER 344 Ca -0.09 -1.28 -0.28 0.00 0.48 0.00 0.00 55.95 54.78 2ipi s SER 344 Cb -0.13 0.31 0.07 0.00 0.10 0.00 0.00 66.02 66.37 2ipi s SER 344 CO -0.01 -0.76 0.67 -1.59 0.98 0.00 0.00 173.24 172.53 2ipi s LYS 345 N -4.08 0.95 0.45 4.02 0.00 -0.40 -4.77 119.74 115.92 2ipi s LYS 345 Ca 0.30 0.50 0.03 0.00 0.00 0.00 0.00 55.97 56.80 2ipi s LYS 345 Cb 0.07 0.45 -0.01 0.00 0.00 0.00 0.00 37.83 38.34 2ipi s LYS 345 CO 0.06 -0.24 0.12 0.20 0.00 0.00 0.00 175.35 175.49 2ipi s GLY 346 N -0.62 2.82 0.15 0.59 0.00 -1.26 0.39 107.32 109.40 2ipi s GLY 346 Ca -0.07 -0.89 -0.24 0.00 0.00 0.00 0.00 44.72 43.52 2ipi s GLY 346 CO 0.06 -1.92 0.75 0.00 0.00 0.00 0.00 173.10 172.00 2ipi s ALA 347 N -3.11 -1.56 -0.23 3.20 0.00 -0.89 -4.71 121.76 114.46 2ipi s ALA 347 Ca 0.17 0.34 -0.05 0.00 0.00 0.00 0.00 51.96 52.42 2ipi s ALA 347 Cb 0.01 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 23.85 2ipi s ALA 347 CO 0.12 -0.87 0.00 0.71 0.00 0.00 0.00 175.76 175.73 2ipi s TYR 348 N -3.57 3.01 -0.32 0.00 2.02 0.55 -1.05 117.35 117.99 2ipi s TYR 348 Ca 0.06 -0.70 -0.12 0.00 -0.37 0.00 0.00 57.07 55.95 2ipi s TYR 348 Cb -0.02 -2.16 -0.02 0.00 -0.40 0.00 0.00 41.96 39.36 2ipi s TYR 348 CO -0.05 -0.45 0.20 -0.51 -1.57 0.00 0.00 175.55 173.18 2ipi s LEU 349 N 1.50 4.28 0.32 -1.29 1.43 0.13 -1.65 118.68 123.40 2ipi s LEU 349 Ca 0.06 -0.34 0.16 0.00 -1.03 0.00 0.00 54.13 52.98 2ipi s LEU 349 Cb -0.15 -2.10 0.36 0.00 0.03 0.00 0.00 46.19 44.34 2ipi s LEU 349 CO -0.00 -0.18 1.58 0.03 0.23 0.00 0.00 176.35 178.01 2ipi h ARG 350 N 8.42 0.00 -5.06 1.70 3.08 -1.74 -0.21 114.38 120.58 2ipi h ARG 350 Ca -0.33 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.37 2ipi h ARG 350 Cb 1.16 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.07 2ipi h ARG 350 CO 0.61 0.48 -0.68 0.15 -1.07 0.00 0.00 179.97 179.46 2ipi s LYS 351 N -3.27 1.23 0.65 0.04 1.02 -1.23 -4.59 119.74 113.59 2ipi s LYS 351 Ca 0.02 -1.59 -0.17 0.00 0.02 0.00 0.00 55.97 54.25 2ipi s LYS 351 Cb 0.09 -0.59 -0.01 0.00 -0.52 0.00 0.00 37.83 36.81 2ipi s LYS 351 CO 0.72 -0.04 1.17 -2.14 -0.92 0.00 0.00 175.35 174.14 2ipi s PRO 352 N -3.83 2.70 0.62 -1.68 0.02 -1.26 -4.96 135.00 126.61 2ipi s PRO 352 Ca 0.24 1.67 -0.18 0.00 0.02 0.00 0.00 61.00 62.76 2ipi s PRO 352 Cb 0.05 -1.91 -0.06 0.00 0.02 0.00 0.00 34.50 32.60 2ipi s PRO 352 CO 0.06 -1.38 0.72 0.91 -0.33 0.00 0.00 177.00 176.97 2ipi n TRP 353 N -2.13 -0.06 -1.65 6.54 7.02 -1.26 -4.99 117.44 120.90 2ipi n TRP 353 Ca 0.13 0.42 -0.31 0.00 -1.02 0.00 0.00 57.50 56.72 2ipi n TRP 353 Cb 0.51 -2.02 0.05 0.00 -2.42 0.00 0.00 31.31 27.42 2ipi n TRP 353 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2ipi s THR 354 N -1.68 3.95 0.35 -0.99 -4.23 -1.26 -4.85 115.64 106.93 2ipi s THR 354 Ca 0.72 0.63 0.06 0.00 -1.18 0.00 0.00 61.69 61.92 2ipi s THR 354 Cb -0.41 -3.44 0.30 0.00 1.34 0.00 0.00 72.50 70.29 2ipi s THR 354 CO 0.52 -0.83 1.93 0.00 -0.54 0.00 0.00 174.62 175.70 2ipi h ALA 355 N -0.70 1.72 -0.32 3.99 0.00 -1.98 0.28 119.26 122.25 2ipi h ALA 355 Ca -0.44 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.32 2ipi h ALA 355 Cb 1.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2ipi h ALA 355 CO 0.59 0.13 -0.33 0.00 0.00 0.00 0.00 179.25 179.64 2ipi h ALA 356 N 1.59 0.82 -0.37 0.00 0.00 -1.99 -1.91 119.26 117.41 2ipi h ALA 356 Ca 0.35 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 2ipi h ALA 356 Cb 0.37 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2ipi h ALA 356 CO -0.13 0.64 -0.33 1.96 0.00 0.00 0.00 179.25 181.39 2ipi h GLN 357 N 0.59 0.82 -0.52 0.00 4.20 -1.57 -2.14 115.11 116.50 2ipi h GLN 357 Ca 0.06 -0.39 -0.07 0.00 0.06 0.00 0.00 58.65 58.31 2ipi h GLN 357 Cb 0.85 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 2ipi h GLN 357 CO 0.07 1.03 0.04 0.00 -0.67 0.00 0.00 178.83 179.30 2ipi h ALA 358 N 0.93 1.09 -0.34 3.87 0.00 -0.32 -2.02 119.26 122.48 2ipi h ALA 358 Ca 0.07 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 2ipi h ALA 358 Cb 0.88 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2ipi h ALA 358 CO 0.08 0.58 -0.30 0.00 0.00 0.00 0.00 179.25 179.61 2ipi h ALA 359 N 1.24 0.84 -0.15 0.00 0.00 -1.29 -2.74 119.26 117.15 2ipi h ALA 359 Ca 0.16 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2ipi h ALA 359 Cb 0.42 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2ipi h ALA 359 CO 0.01 0.64 0.01 1.15 0.00 0.00 0.00 179.25 181.07 2ipi h THR 360 N 0.61 1.24 -0.53 0.00 2.02 -0.92 -2.54 112.91 112.78 2ipi h THR 360 Ca 0.07 -0.77 0.11 0.00 0.77 0.00 0.00 66.41 66.59 2ipi h THR 360 Cb 0.82 1.45 -0.10 0.00 -1.74 0.00 0.00 68.15 68.57 2ipi h THR 360 CO 0.07 0.23 -0.11 -0.07 0.37 0.00 0.00 175.52 176.00 2ipi h LEU 361 N 0.03 -0.46 0.33 2.58 4.07 -1.40 -2.37 115.31 118.08 2ipi h LEU 361 Ca 0.05 0.16 -0.02 0.00 0.08 0.00 0.00 57.88 58.15 2ipi h LEU 361 Cb 0.33 0.32 0.00 0.00 1.08 0.00 0.00 40.66 42.39 2ipi h LEU 361 CO 0.01 -0.16 -0.17 0.22 -1.08 0.00 0.00 178.44 177.25 2ipi h TYR 362 N 0.01 -0.45 -0.88 1.13 3.20 -1.18 0.65 116.97 119.46 2ipi h TYR 362 Ca 0.26 -0.01 0.27 0.00 3.14 0.00 0.00 58.73 62.39 2ipi h TYR 362 Cb 0.40 0.15 -0.16 0.00 1.54 0.00 0.00 36.73 38.66 2ipi h TYR 362 CO -0.43 -0.27 0.13 0.54 -1.64 0.00 0.00 178.16 176.49 2ipi n ARG 363 N -3.31 -0.07 0.08 1.82 1.74 -0.99 0.58 116.66 116.53 2ipi n ARG 363 Ca -0.06 1.29 -0.08 0.00 -0.77 0.00 0.00 57.85 58.23 2ipi n ARG 363 Cb 0.18 -2.11 -0.06 0.00 -1.02 0.00 0.00 32.46 29.45 2ipi n ARG 363 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2ipi h HIS 364 N 0.00 0.15 0.04 -1.55 3.86 -1.28 -2.61 115.15 113.76 2ipi h HIS 364 Ca 0.58 -0.10 -0.28 0.00 -1.16 0.00 0.00 60.37 59.42 2ipi h HIS 364 Cb 1.31 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.74 2ipi h HIS 364 CO -0.34 0.99 -1.46 -0.07 0.86 0.00 0.00 177.93 177.92 2ipi h LEU 365 N 0.04 0.14 -0.95 2.43 3.38 0.19 -3.34 115.31 117.20 2ipi h LEU 365 Ca -0.04 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 2ipi h LEU 365 Cb 1.66 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 2ipi h LEU 365 CO 0.14 1.18 -0.50 -1.28 0.09 0.00 0.00 178.44 178.07 2ipi h SER 366 N 0.03 0.00 -3.49 -0.43 0.87 0.07 -0.81 113.55 109.79 2ipi h SER 366 Ca -0.20 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 59.80 2ipi h SER 366 Cb 1.95 0.00 0.18 0.00 -0.44 0.00 0.00 62.40 64.08 2ipi h SER 366 CO 0.12 0.50 -0.07 0.00 -0.53 0.00 0.00 176.83 176.85 2ipi n ALA 367 N -2.41 -0.53 -1.24 6.23 0.00 -0.99 -4.58 120.51 117.00 2ipi n ALA 367 Ca -0.01 -0.13 -0.20 0.00 0.00 0.00 0.00 53.44 53.10 2ipi n ALA 367 Cb 0.53 -2.02 -0.09 0.00 0.00 0.00 0.00 19.45 17.88 2ipi n ALA 367 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2ipi n ASP 368 N -0.83 6.01 -4.05 0.00 2.03 -1.26 -4.65 116.55 113.79 2ipi n ASP 368 Ca 0.12 -2.92 -0.36 0.00 0.52 0.00 0.00 54.79 52.16 2ipi n ASP 368 Cb 0.49 -1.28 0.04 0.00 -0.72 0.00 0.00 41.12 39.65 2ipi n ASP 368 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2ipi n SER 369 N 1.41 -5.54 -1.60 1.67 3.41 -1.26 -4.90 113.62 106.82 2ipi n SER 369 Ca 0.44 0.23 0.08 0.00 -0.26 0.00 0.00 58.87 59.35 2ipi n SER 369 Cb 0.68 -0.81 0.36 0.00 -0.26 0.00 0.00 64.21 64.18 2ipi n SER 369 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2ipi n GLN 370 N 2.07 4.26 -4.31 4.33 -0.06 -1.26 -4.97 117.38 117.44 2ipi n GLN 370 Ca -0.01 -3.04 -0.21 0.00 -2.00 0.00 0.00 57.00 51.75 2ipi n GLN 370 Cb 0.55 -2.10 -0.13 0.00 -4.06 0.00 0.00 30.24 24.50 2ipi n GLN 370 CO 0.00 0.00 0.00 0.14 -0.20 0.00 0.00 177.06 177.00 2ipi s VAL 371 N -2.63 1.32 -0.99 1.69 -7.23 -1.26 -5.00 120.40 106.30 2ipi s VAL 371 Ca 0.51 -1.26 -0.21 0.00 -1.81 0.00 0.00 61.98 59.21 2ipi s VAL 371 Cb 0.38 -1.21 -0.10 0.00 0.56 0.00 0.00 36.38 36.00 2ipi s VAL 371 CO 0.15 -0.07 1.94 1.87 -0.31 0.00 0.00 175.10 178.69 2ipi n TRP 372 N 1.48 2.47 -3.76 2.82 -0.00 -1.26 -4.94 117.44 114.26 2ipi n TRP 372 Ca -0.19 -1.88 -0.35 0.00 -0.00 0.00 0.00 57.50 55.08 2ipi n TRP 372 Cb 0.54 -2.12 -0.05 0.00 -0.00 0.00 0.00 31.31 29.68 2ipi n TRP 372 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 177.69 177.89 2ipi s GLY 373 N 5.22 2.25 -0.06 5.87 0.00 -1.26 -1.87 107.32 117.48 2ipi s GLY 373 Ca 0.60 -0.56 -0.29 0.00 0.00 0.00 0.00 44.72 44.46 2ipi s GLY 373 CO 0.10 -0.36 0.65 -1.83 0.00 0.00 0.00 173.10 171.66 2ipi s GLU 374 N -1.66 1.01 -0.11 2.90 -1.05 0.83 -2.67 118.70 117.95 2ipi s GLU 374 Ca 0.26 0.27 -0.00 0.00 -0.15 0.00 0.00 54.97 55.35 2ipi s GLU 374 Cb -0.13 0.48 0.02 0.00 -0.44 0.00 0.00 34.13 34.06 2ipi s GLU 374 CO 0.15 -0.30 -0.08 0.08 0.95 0.00 0.00 175.26 176.06 2ipi s VAL 375 N -1.11 1.05 -0.19 1.83 1.01 -1.00 -0.54 120.40 121.46 2ipi s VAL 375 Ca -0.11 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 61.52 2ipi s VAL 375 Cb -0.01 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 2ipi s VAL 375 CO 0.09 0.37 -0.01 -0.44 0.00 0.00 0.00 175.10 175.11 2ipi s SER 376 N 1.67 4.82 -0.26 3.32 0.01 0.09 -0.65 113.70 122.71 2ipi s SER 376 Ca 0.04 -0.19 -0.07 0.00 1.31 0.00 0.00 55.95 57.05 2ipi s SER 376 Cb -0.13 -1.81 -0.02 0.00 0.21 0.00 0.00 66.02 64.27 2ipi s SER 376 CO -0.08 0.09 0.06 -0.76 0.41 0.00 0.00 173.24 172.96 2ipi s LEU 377 N 0.85 3.50 -0.16 2.44 1.43 -0.30 -1.92 118.68 124.53 2ipi s LEU 377 Ca 0.00 -0.36 -0.06 0.00 -1.03 0.00 0.00 54.13 52.69 2ipi s LEU 377 Cb -0.14 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 2ipi s LEU 377 CO 0.02 -0.08 0.03 -0.31 0.23 0.00 0.00 176.35 176.24 2ipi s TYR 378 N 1.57 3.20 0.39 0.29 1.51 -0.05 0.39 117.35 124.66 2ipi s TYR 378 Ca 0.05 0.03 -0.27 0.00 -1.01 0.00 0.00 57.07 55.87 2ipi s TYR 378 Cb -0.16 -1.99 -0.11 0.00 -0.11 0.00 0.00 41.96 39.60 2ipi s TYR 378 CO 0.03 0.19 1.36 -1.13 -1.11 0.00 0.00 175.55 174.89 2ipi n SER 379 N 3.21 3.07 -1.45 2.29 3.41 -0.26 -1.04 113.62 122.85 2ipi n SER 379 Ca -0.17 1.17 -0.03 0.00 -0.26 0.00 0.00 58.87 59.58 2ipi n SER 379 Cb 0.53 -1.54 -0.01 0.00 -0.26 0.00 0.00 64.21 62.92 2ipi n SER 379 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ipi n TYR 380 N 0.12 -0.07 -1.23 7.33 4.19 0.12 -4.73 117.16 122.89 2ipi n TYR 380 Ca 0.04 -0.36 0.00 0.00 3.31 0.00 0.00 57.90 60.89 2ipi n TYR 380 Cb 0.39 0.03 0.00 0.00 0.49 0.00 0.00 39.34 40.24 2ipi n TYR 380 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2ipi n GLY 381 N 0.56 0.44 7.00 2.98 0.00 -1.12 -4.59 105.19 110.46 2ipi n GLY 381 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.53 2ipi n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ipi n GLY 382 N 0.00 1.33 0.31 -0.02 0.00 0.30 -2.78 105.19 104.34 2ipi n GLY 382 Ca 0.00 -0.72 0.20 0.00 0.00 0.00 0.00 46.02 45.50 2ipi n GLY 382 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2ipi h LYS 383 N 0.00 0.00 -0.19 1.61 1.63 -0.36 -0.47 116.57 118.79 2ipi h LYS 383 Ca 0.00 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.82 2ipi h LYS 383 Cb 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 2ipi h LYS 383 CO 0.00 0.02 0.12 -0.24 -3.45 0.00 0.00 179.45 175.90 2ipi h VAL 384 N 0.00 1.01 -0.01 2.00 3.04 -1.56 -2.38 116.25 118.35 2ipi h VAL 384 Ca -0.00 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 2ipi h VAL 384 Cb 0.11 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 30.20 2ipi h VAL 384 CO 0.00 0.03 -0.06 0.59 -1.01 0.00 0.00 177.57 177.12 2ipi n ASN 385 N -4.51 0.79 0.00 3.17 3.02 -0.19 -3.66 115.26 113.89 2ipi n ASN 385 Ca 0.00 -1.03 0.12 0.00 -0.03 0.00 0.00 54.58 53.64 2ipi n ASN 385 Cb 0.13 -0.01 0.69 0.00 -0.61 0.00 0.00 39.78 39.98 2ipi n ASN 385 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2ipi n SER 386 N -0.53 0.00 -4.34 6.41 7.64 -0.90 -4.77 113.62 117.13 2ipi n SER 386 Ca 0.18 -0.53 -0.33 0.00 1.01 0.00 0.00 58.87 59.21 2ipi n SER 386 Cb 0.28 -0.10 -0.15 0.00 -1.01 0.00 0.00 64.21 63.23 2ipi n SER 386 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2ipi s VAL 387 N -2.20 2.75 0.46 0.44 1.01 -1.24 -5.10 120.40 116.52 2ipi s VAL 387 Ca 0.32 -0.78 -0.25 0.00 0.00 0.00 0.00 61.98 61.27 2ipi s VAL 387 Cb 0.17 -2.11 -0.08 0.00 0.00 0.00 0.00 36.38 34.35 2ipi s VAL 387 CO 0.31 0.54 1.43 -2.65 0.00 0.00 0.00 175.10 174.74 2ipi n PRO 388 N 3.34 2.21 -0.31 2.72 -0.02 -1.26 -4.85 135.00 136.83 2ipi n PRO 388 Ca -0.18 0.79 0.29 0.00 -2.02 0.00 0.00 63.50 62.38 2ipi n PRO 388 Cb 0.53 -2.63 0.63 0.00 -0.02 0.00 0.00 33.50 32.01 2ipi n PRO 388 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2ipi h GLU 389 N 2.22 0.18 -0.00 -0.52 4.81 -1.87 -1.54 114.58 117.86 2ipi h GLU 389 Ca -0.51 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2ipi h GLU 389 Cb 1.27 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2ipi h GLU 389 CO 0.61 0.12 -0.91 -2.37 -0.73 0.00 0.00 179.01 175.72 2ipi n THR 390 N -4.41 0.00 0.24 0.32 5.66 -1.26 -4.21 114.28 110.63 2ipi n THR 390 Ca 0.25 -0.02 0.09 0.00 -3.05 0.00 0.00 64.05 61.32 2ipi n THR 390 Cb 1.05 0.95 0.62 0.00 -1.55 0.00 0.00 70.33 71.39 2ipi n THR 390 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2ipi h ALA 391 N 3.07 1.40 -2.29 1.79 0.00 -1.64 -3.45 119.26 118.15 2ipi h ALA 391 Ca 0.00 -0.15 -0.38 0.00 0.00 0.00 0.00 54.91 54.38 2ipi h ALA 391 Cb 0.52 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.14 2ipi h ALA 391 CO 0.00 0.21 -0.60 -0.08 0.00 0.00 0.00 179.25 178.78 2ipi s THR 392 N -4.30 0.58 -1.95 0.00 -1.32 -1.26 -5.04 115.64 102.35 2ipi s THR 392 Ca -0.03 -2.00 0.09 0.00 -1.21 0.00 0.00 61.69 58.54 2ipi s THR 392 Cb 0.14 -2.62 0.27 0.00 -1.51 0.00 0.00 72.50 68.78 2ipi s THR 392 CO 0.63 0.00 1.22 0.00 -2.21 0.00 0.00 174.62 174.26 2ipi n ALA 393 N -0.52 2.47 -3.24 11.08 0.00 -1.06 -4.59 120.51 124.66 2ipi n ALA 393 Ca -0.00 -0.54 -0.41 0.00 0.00 0.00 0.00 53.44 52.48 2ipi n ALA 393 Cb 0.66 -0.98 -0.09 0.00 0.00 0.00 0.00 19.45 19.04 2ipi n ALA 393 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2ipi s THR 394 N -1.60 4.45 0.01 0.00 -4.23 -1.02 -3.69 115.64 109.57 2ipi s THR 394 Ca 0.20 -1.39 0.12 0.00 -1.18 0.00 0.00 61.69 59.44 2ipi s THR 394 Cb 0.11 -3.74 -0.05 0.00 1.34 0.00 0.00 72.50 70.15 2ipi s THR 394 CO 0.14 -0.57 1.41 0.00 -0.54 0.00 0.00 174.62 175.06 2ipi h ALA 395 N 8.50 0.58 -1.17 3.99 0.00 -1.81 -3.42 119.26 125.93 2ipi h ALA 395 Ca -0.24 -0.64 -0.61 0.00 0.00 0.00 0.00 54.91 53.42 2ipi h ALA 395 Cb 1.09 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.66 2ipi h ALA 395 CO 0.80 0.88 1.46 -0.65 0.00 0.00 0.00 179.25 181.75 2ipi s GLN 396 N -2.95 3.60 -0.29 0.00 1.11 -1.26 -4.76 119.66 115.10 2ipi s GLN 396 Ca 0.02 -1.18 0.07 0.00 0.01 0.00 0.00 55.36 54.28 2ipi s GLN 396 Cb 0.09 -5.33 0.45 0.00 -1.01 0.00 0.00 33.01 27.22 2ipi s GLN 396 CO 0.77 -2.18 1.24 0.54 0.01 0.00 0.00 175.29 175.67 2ipi n ARG 397 N 8.70 3.16 -0.80 2.91 5.12 -1.26 -4.63 116.66 129.87 2ipi n ARG 397 Ca 0.33 -3.95 -0.04 0.00 -1.93 0.00 0.00 57.85 52.26 2ipi n ARG 397 Cb 0.51 -2.15 -0.04 0.00 -1.16 0.00 0.00 32.46 29.62 2ipi n ARG 397 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2ipi n ASP 398 N -0.81 -0.54 -4.90 0.55 4.64 -1.26 -4.53 116.55 109.70 2ipi n ASP 398 Ca 0.40 -1.59 -0.26 0.00 -1.38 0.00 0.00 54.79 51.96 2ipi n ASP 398 Cb 0.91 0.16 -0.04 0.00 -1.04 0.00 0.00 41.12 41.11 2ipi n ASP 398 CO 0.00 0.00 0.00 -0.44 -0.82 0.00 0.00 177.20 175.94 2ipi s SER 399 N -0.61 6.10 -0.00 1.67 0.01 -1.26 -4.55 113.70 115.06 2ipi s SER 399 Ca 0.01 0.07 0.02 0.00 1.31 0.00 0.00 55.95 57.36 2ipi s SER 399 Cb 0.01 -1.77 -0.03 0.00 0.21 0.00 0.00 66.02 64.44 2ipi s SER 399 CO -0.00 0.05 0.04 2.30 0.41 0.00 0.00 173.24 176.04 2ipi n ILE 400 N -0.56 0.00 -3.80 1.44 -5.35 -0.11 -2.79 119.36 108.20 2ipi n ILE 400 Ca -0.07 -0.05 -0.14 0.00 -0.27 0.00 0.00 62.75 62.21 2ipi n ILE 400 Cb 0.54 0.47 -0.15 0.00 -1.74 0.00 0.00 39.64 38.76 2ipi n ILE 400 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2ipi s ILE 401 N -2.11 -0.04 -0.08 7.28 1.01 -1.07 0.11 121.20 126.30 2ipi s ILE 401 Ca -0.01 0.16 -0.03 0.00 0.00 0.00 0.00 60.65 60.78 2ipi s ILE 401 Cb 0.01 -0.06 -0.04 0.00 0.01 0.00 0.00 42.46 42.38 2ipi s ILE 401 CO 0.08 0.07 0.05 -0.54 0.00 0.00 0.00 174.94 174.59 2ipi s LYS 402 N 0.80 3.10 -0.04 2.79 1.02 -0.20 0.22 119.74 127.43 2ipi s LYS 402 Ca -0.07 -0.36 0.06 0.00 0.02 0.00 0.00 55.97 55.62 2ipi s LYS 402 Cb -0.10 -2.90 -0.01 0.00 -0.52 0.00 0.00 37.83 34.31 2ipi s LYS 402 CO -0.02 0.71 -0.23 0.14 -0.92 0.00 0.00 175.35 175.03 2ipi s VAL 403 N -0.98 1.84 -0.10 3.17 -7.23 -0.22 -0.87 120.40 116.01 2ipi s VAL 403 Ca 0.16 -0.97 0.00 0.00 -1.81 0.00 0.00 61.98 59.36 2ipi s VAL 403 Cb -0.12 -1.54 0.02 0.00 0.56 0.00 0.00 36.38 35.30 2ipi s VAL 403 CO 0.05 0.52 -0.08 0.86 -0.31 0.00 0.00 175.10 176.14 2ipi s TRP 404 N -0.30 1.36 -0.06 2.82 -0.00 -0.81 -2.09 118.94 119.86 2ipi s TRP 404 Ca 0.02 -0.61 -0.00 0.00 -0.00 0.00 0.00 56.10 55.51 2ipi s TRP 404 Cb -0.11 -1.12 -0.03 0.00 -0.00 0.00 0.00 33.47 32.20 2ipi s TRP 404 CO 0.01 -0.43 -0.02 -1.64 -0.00 0.00 0.00 176.95 174.87 2ipi s MET 405 N 1.47 2.85 0.04 5.86 -1.94 0.16 -0.73 119.30 127.01 2ipi s MET 405 Ca -0.00 -0.50 -0.21 0.00 -1.71 0.00 0.00 55.69 53.27 2ipi s MET 405 Cb -0.13 -2.69 0.05 0.00 2.01 0.00 0.00 34.83 34.06 2ipi s MET 405 CO -0.05 0.67 0.48 -1.54 -0.01 0.00 0.00 175.02 174.57 2ipi s SER 406 N -1.01 -0.39 -0.07 3.03 1.04 0.30 -1.27 113.70 115.33 2ipi s SER 406 Ca 0.14 0.13 0.04 0.00 0.48 0.00 0.00 55.95 56.74 2ipi s SER 406 Cb -0.11 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2ipi s SER 406 CO 0.04 -0.69 -0.20 0.00 0.98 0.00 0.00 173.24 173.37 2ipi s ALA 407 N -2.39 1.81 -0.05 5.32 0.00 -1.11 -0.12 121.76 125.22 2ipi s ALA 407 Ca -0.06 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.16 2ipi s ALA 407 Cb -0.01 -0.67 -0.00 0.00 0.00 0.00 0.00 23.12 22.44 2ipi s ALA 407 CO -0.01 0.26 -0.17 0.99 0.00 0.00 0.00 175.76 176.82 2ipi s THR 408 N 0.29 1.47 0.36 0.00 2.01 -0.78 -2.38 115.64 116.61 2ipi s THR 408 Ca -0.13 -0.73 -0.17 0.00 0.31 0.00 0.00 61.69 60.98 2ipi s THR 408 Cb -0.16 -1.27 0.06 0.00 0.01 0.00 0.00 72.50 71.15 2ipi s THR 408 CO 0.06 0.42 0.84 -1.66 -0.69 0.00 0.00 174.62 173.59 2ipi s TRP 409 N 0.10 0.12 0.00 4.92 -2.14 -0.69 -4.14 118.94 117.12 2ipi s TRP 409 Ca -0.06 -0.76 0.00 0.00 2.66 0.00 0.00 56.10 57.94 2ipi s TRP 409 Cb -0.12 0.82 0.00 0.00 -3.10 0.00 0.00 33.47 31.07 2ipi s TRP 409 CO 0.03 -1.48 0.00 -0.12 -2.66 0.00 0.00 176.95 172.72 2ipi n MET 410 N -0.56 0.00 -3.22 3.25 0.00 -1.26 -1.98 117.12 113.34 2ipi n MET 410 Ca -0.08 0.00 -0.39 0.00 -0.00 0.00 0.00 57.70 57.23 2ipi n MET 410 Cb 0.60 -0.70 -0.06 0.00 0.00 0.00 0.00 33.22 33.05 2ipi n MET 410 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2ipi s ASP 411 N -4.30 6.65 0.37 6.12 2.15 -1.26 -4.81 116.67 121.59 2ipi s ASP 411 Ca 0.00 0.78 0.14 0.00 0.43 0.00 0.00 52.55 53.89 2ipi s ASP 411 Cb 0.00 -2.31 0.96 0.00 -0.30 0.00 0.00 42.92 41.27 2ipi s ASP 411 CO 0.00 -0.15 1.82 1.55 -0.17 0.00 0.00 175.17 178.21 2ipi h PRO 412 N 7.24 0.52 -0.64 4.34 0.13 -2.01 -2.34 132.00 139.25 2ipi h PRO 412 Ca -0.35 -0.03 0.18 0.00 -0.87 0.00 0.00 66.00 64.93 2ipi h PRO 412 Cb 1.16 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 32.15 2ipi h PRO 412 CO 0.75 0.34 0.59 0.00 -0.23 0.00 0.00 178.00 179.45 2ipi h ALA 413 N 1.62 2.45 -0.68 -0.56 0.00 -2.05 -1.13 119.26 118.90 2ipi h ALA 413 Ca 0.53 -0.02 -0.48 0.00 0.00 0.00 0.00 54.91 54.93 2ipi h ALA 413 Cb 1.12 0.05 -0.33 0.00 0.00 0.00 0.00 17.79 18.63 2ipi h ALA 413 CO -0.26 -0.92 -0.42 0.72 0.00 0.00 0.00 179.25 178.37 2ipi n HIS 414 N -3.85 2.40 0.18 0.00 8.25 -0.88 -4.72 115.22 116.60 2ipi n HIS 414 Ca 0.13 -2.22 -0.15 0.00 -0.26 0.00 0.00 57.72 55.22 2ipi n HIS 414 Cb 0.83 -0.54 -0.08 0.00 1.12 0.00 0.00 29.99 31.32 2ipi n HIS 414 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 2ipi h ASP 415 N 1.91 -0.35 -0.83 0.41 3.32 -1.36 -3.03 116.42 116.49 2ipi h ASP 415 Ca 0.36 0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.53 2ipi h ASP 415 Cb 1.39 0.09 -0.08 0.00 0.22 0.00 0.00 39.33 40.96 2ipi h ASP 415 CO 0.79 -0.25 0.47 0.44 -1.72 0.00 0.00 179.24 178.97 2ipi h ASP 416 N -0.40 0.65 0.24 6.45 5.19 -1.84 0.15 116.42 126.86 2ipi h ASP 416 Ca -0.04 0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.41 2ipi h ASP 416 Cb 0.32 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.76 2ipi h ASP 416 CO 0.06 0.36 -0.12 0.00 -3.12 0.00 0.00 179.24 176.42 2ipi h ALA 417 N 1.47 -0.33 -0.38 3.45 0.00 -1.89 0.12 119.26 121.69 2ipi h ALA 417 Ca 0.41 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.24 2ipi h ALA 417 Cb 0.41 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2ipi h ALA 417 CO -0.26 -0.61 0.13 -0.91 0.00 0.00 0.00 179.25 177.60 2ipi h ASN 418 N -0.48 0.13 -0.49 0.00 2.35 -1.36 -2.14 115.58 113.58 2ipi h ASN 418 Ca -0.03 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2ipi h ASN 418 Cb 0.36 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 2ipi h ASN 418 CO 0.06 0.11 0.26 -0.07 -1.65 0.00 0.00 177.43 176.14 2ipi h LEU 419 N 0.28 0.62 -0.64 1.61 3.38 -0.60 -2.68 115.31 117.28 2ipi h LEU 419 Ca 0.18 -0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.13 2ipi h LEU 419 Cb 0.16 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 2ipi h LEU 419 CO -0.19 0.54 0.30 0.00 0.09 0.00 0.00 178.44 179.18 2ipi h ALA 420 N 1.11 0.85 0.51 1.53 0.00 -0.32 -2.28 119.26 120.66 2ipi h ALA 420 Ca 0.17 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2ipi h ALA 420 Cb 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2ipi h ALA 420 CO -0.03 -0.10 -0.24 2.35 0.00 0.00 0.00 179.25 181.23 2ipi h TRP 421 N 0.52 -0.63 -0.74 0.00 2.91 -1.16 -1.80 115.95 115.05 2ipi h TRP 421 Ca 0.31 -0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.28 2ipi h TRP 421 Cb 0.32 0.21 -0.03 0.00 -0.51 0.00 0.00 29.16 29.15 2ipi h TRP 421 CO -0.13 -0.37 0.33 -0.84 -1.03 0.00 0.00 178.44 176.40 2ipi h ILE 422 N -0.73 1.24 -0.21 2.65 -0.00 -1.44 -2.42 117.51 116.61 2ipi h ILE 422 Ca -0.07 -0.70 -0.05 0.00 -0.00 0.00 0.00 64.86 64.04 2ipi h ILE 422 Cb 0.54 0.32 -0.01 0.00 -0.00 0.00 0.00 36.82 37.67 2ipi h ILE 422 CO 0.11 0.29 -0.08 0.03 -0.00 0.00 0.00 178.15 178.50 2ipi h ARG 423 N 1.05 0.33 0.08 0.16 3.08 -1.15 -2.40 114.38 115.53 2ipi h ARG 423 Ca 0.25 -0.07 -0.18 0.00 0.07 0.00 0.00 59.98 60.05 2ipi h ARG 423 Cb 0.14 -0.05 0.02 0.00 0.08 0.00 0.00 29.97 30.16 2ipi h ARG 423 CO -0.03 0.43 -0.76 0.93 -1.07 0.00 0.00 179.97 179.47 2ipi h GLU 424 N 0.31 0.37 -0.66 0.04 5.08 -1.05 -2.29 114.58 116.39 2ipi h GLU 424 Ca 0.07 -0.51 -0.06 0.00 -1.00 0.00 0.00 59.36 57.86 2ipi h GLU 424 Cb 0.35 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 2ipi h GLU 424 CO 0.02 1.19 0.18 0.82 -1.00 0.00 0.00 179.01 180.22 2ipi h ILE 425 N -0.20 1.25 0.40 3.13 2.04 -1.30 0.11 117.51 122.93 2ipi h ILE 425 Ca -0.12 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 2ipi h ILE 425 Cb 1.52 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 2ipi h ILE 425 CO 0.15 0.34 -0.47 0.22 0.00 0.00 0.00 178.15 178.39 2ipi h TYR 426 N 0.98 -1.29 -0.95 1.37 5.03 -1.51 -1.39 116.97 119.20 2ipi h TYR 426 Ca 0.21 0.01 0.18 0.00 2.58 0.00 0.00 58.73 61.72 2ipi h TYR 426 Cb 0.31 0.51 -0.08 0.00 1.55 0.00 0.00 36.73 39.02 2ipi h TYR 426 CO 0.02 -0.61 0.60 -0.09 -1.32 0.00 0.00 178.16 176.76 2ipi h ARG 427 N -0.89 0.63 0.06 1.82 2.43 -0.93 -2.39 114.38 115.11 2ipi h ARG 427 Ca -0.04 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 58.92 2ipi h ARG 427 Cb 0.80 -0.14 0.02 0.00 -0.42 0.00 0.00 29.97 30.23 2ipi h ARG 427 CO -0.10 0.42 -0.70 1.49 -1.51 0.00 0.00 179.97 179.57 2ipi h GLU 428 N 0.65 0.36 0.00 0.20 4.81 -0.48 -2.10 114.58 118.03 2ipi h GLU 428 Ca 0.51 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2ipi h GLU 428 Cb 0.92 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.46 2ipi h GLU 428 CO -0.27 1.16 0.00 0.97 -0.73 0.00 0.00 179.01 180.15 2ipi h ILE 429 N -0.21 0.00 -0.50 2.32 -0.00 -0.77 -1.49 117.51 116.84 2ipi h ILE 429 Ca -0.10 -0.33 -0.20 0.00 -0.00 0.00 0.00 64.86 64.23 2ipi h ILE 429 Cb 1.46 1.15 -0.12 0.00 -0.00 0.00 0.00 36.82 39.31 2ipi h ILE 429 CO 0.13 0.00 0.12 0.49 -0.00 0.00 0.00 178.15 178.89 2ipi n PHE 430 N -2.49 1.62 -0.95 2.19 3.72 -1.00 -4.88 117.46 115.68 2ipi n PHE 430 Ca 0.02 -1.39 -0.29 0.00 -0.05 0.00 0.00 57.45 55.73 2ipi n PHE 430 Cb 0.27 -0.56 0.17 0.00 -0.94 0.00 0.00 39.48 38.42 2ipi n PHE 430 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ipi s ALA 431 N -3.11 0.96 -1.34 4.37 0.00 -0.56 -1.75 121.76 120.32 2ipi s ALA 431 Ca 0.48 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.45 2ipi s ALA 431 Cb 0.41 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 20.28 2ipi s ALA 431 CO 0.06 -2.85 0.00 -2.37 0.00 0.00 0.00 175.76 170.61 2ipi n THR 432 N -4.23 -0.38 -2.29 0.00 5.66 -1.26 -4.64 114.28 107.13 2ipi n THR 432 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 2ipi n THR 432 Cb 0.55 -1.73 -0.01 0.00 -1.55 0.00 0.00 70.33 67.59 2ipi n THR 432 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 2ipi n THR 433 N -2.83 0.00 -1.18 1.09 -1.04 -1.12 -4.98 114.28 104.22 2ipi n THR 433 Ca -0.16 -0.59 -0.09 0.00 -2.04 0.00 0.00 64.05 61.18 2ipi n THR 433 Cb 0.56 0.77 -0.04 0.00 -1.82 0.00 0.00 70.33 69.80 2ipi n THR 433 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2ipi n GLY 434 N 0.29 0.84 0.00 3.41 0.00 -1.25 -3.47 105.19 105.01 2ipi n GLY 434 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2ipi n GLY 434 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ipi n GLY 435 N 0.27 1.09 3.32 -0.02 0.00 -0.72 -3.23 105.19 105.89 2ipi n GLY 435 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 2ipi n GLY 435 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ipi s VAL 436 N -2.00 0.08 -0.93 1.61 -7.23 -1.23 -4.19 120.40 106.51 2ipi s VAL 436 Ca 0.00 -1.29 -0.23 0.00 -1.81 0.00 0.00 61.98 58.64 2ipi s VAL 436 Cb 0.00 -1.70 0.05 0.00 0.56 0.00 0.00 36.38 35.29 2ipi s VAL 436 CO 0.00 -0.36 1.35 -2.16 -0.31 0.00 0.00 175.10 173.62 2ipi s PRO 437 N -3.94 3.48 0.11 4.82 0.04 -1.26 -4.78 135.00 133.47 2ipi s PRO 437 Ca 0.14 -0.97 -0.31 0.00 0.04 0.00 0.00 61.00 59.90 2ipi s PRO 437 Cb 0.03 -4.99 -0.07 0.00 0.04 0.00 0.00 34.50 29.51 2ipi s PRO 437 CO -0.03 -2.13 1.26 0.08 0.04 0.00 0.00 177.00 176.22 2ipi s VAL 438 N 4.87 3.68 -0.12 -0.36 1.01 -1.26 -3.61 120.40 124.60 2ipi s VAL 438 Ca 0.41 1.25 -0.36 0.00 0.00 0.00 0.00 61.98 63.28 2ipi s VAL 438 Cb -0.03 -3.80 -0.13 0.00 0.00 0.00 0.00 36.38 32.42 2ipi s VAL 438 CO -0.03 0.12 1.80 -2.65 0.00 0.00 0.00 175.10 174.34 2ipi n PRO 439 N 3.56 1.86 0.00 2.72 -0.02 -1.26 -4.43 135.00 137.43 2ipi n PRO 439 Ca 0.09 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 2ipi n PRO 439 Cb 0.45 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 2ipi n PRO 439 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2ipi n ASP 440 N 5.92 1.27 0.14 2.55 5.68 -0.70 -4.97 116.55 126.44 2ipi n ASP 440 Ca 0.23 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.53 2ipi n ASP 440 Cb 0.25 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.32 2ipi n ASP 440 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 2ipi h ASP 441 N 0.00 0.00 0.00 -1.12 1.82 -2.04 -3.32 116.42 111.76 2ipi h ASP 441 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2ipi h ASP 441 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2ipi h ASP 441 CO 0.00 0.59 -1.42 0.54 -1.61 0.00 0.00 179.24 177.34 2ipi n ARG 442 N -3.40 0.83 -4.28 0.28 1.74 -1.26 -4.65 116.66 105.92 2ipi n ARG 442 Ca 0.01 -0.10 -0.15 0.00 -0.77 0.00 0.00 57.85 56.84 2ipi n ARG 442 Cb 0.70 -1.38 -0.10 0.00 -1.02 0.00 0.00 32.46 30.66 2ipi n ARG 442 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2ipi s THR 443 N -3.00 0.80 -0.12 0.55 -4.23 -1.25 -2.58 115.64 105.80 2ipi s THR 443 Ca -0.01 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.65 2ipi s THR 443 Cb 0.12 -2.24 0.27 0.00 1.34 0.00 0.00 72.50 71.99 2ipi s THR 443 CO 0.73 -0.38 1.14 -0.62 -0.54 0.00 0.00 174.62 174.95 2ipi n GLU 444 N -0.32 1.13 0.00 3.99 -0.58 -0.66 -1.72 120.64 122.49 2ipi n GLU 444 Ca -0.05 -2.46 0.00 0.00 -0.42 0.00 0.00 57.16 54.23 2ipi n GLU 444 Cb 0.64 -1.36 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 2ipi n GLU 444 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ipi n GLY 445 N -1.19 0.40 0.09 0.62 0.00 -1.24 -4.78 105.19 99.09 2ipi n GLY 445 Ca 0.14 -1.56 -0.01 0.00 0.00 0.00 0.00 46.02 44.59 2ipi n GLY 445 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2ipi n THR 446 N 0.00 0.00 -4.04 2.61 5.66 -0.25 -0.33 114.28 117.92 2ipi n THR 446 Ca 0.00 -0.07 -0.31 0.00 -3.05 0.00 0.00 64.05 60.62 2ipi n THR 446 Cb 0.00 0.03 -0.16 0.00 -1.55 0.00 0.00 70.33 68.65 2ipi n THR 446 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2ipi s PHE 447 N -2.37 2.52 0.54 1.09 5.36 -1.26 -4.37 117.98 119.48 2ipi s PHE 447 Ca 0.01 -1.57 0.28 0.00 -0.96 0.00 0.00 56.93 54.70 2ipi s PHE 447 Cb 0.00 -1.73 1.54 0.00 -0.34 0.00 0.00 43.02 42.50 2ipi s PHE 447 CO 0.01 -0.75 1.86 -0.84 -1.46 0.00 0.00 175.22 174.03 2ipi h ILE 448 N 6.21 0.00 0.00 3.12 -2.65 -1.89 0.83 117.51 123.14 2ipi h ILE 448 Ca -0.35 0.00 0.00 0.00 1.03 0.00 0.00 64.86 65.54 2ipi h ILE 448 Cb 1.11 0.63 0.00 0.00 -2.05 0.00 0.00 36.82 36.51 2ipi h ILE 448 CO 0.53 0.00 0.00 0.59 0.03 0.00 0.00 178.15 179.30 2ipi n ASN 449 N -2.76 0.00 -3.21 2.16 3.02 -1.26 -3.42 115.26 109.80 2ipi n ASN 449 Ca -0.02 -0.51 -0.27 0.00 -0.03 0.00 0.00 54.58 53.75 2ipi n ASN 449 Cb 0.33 -0.10 -0.06 0.00 -0.61 0.00 0.00 39.78 39.34 2ipi n ASN 449 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2ipi n TYR 450 N -1.10 3.83 -2.16 3.10 0.53 0.29 -4.82 117.16 116.83 2ipi n TYR 450 Ca 0.16 -4.06 -0.38 0.00 -1.02 0.00 0.00 57.90 52.59 2ipi n TYR 450 Cb 0.12 -0.54 -0.01 0.00 -1.03 0.00 0.00 39.34 37.89 2ipi n TYR 450 CO 0.00 0.00 0.00 -1.25 -1.02 0.00 0.00 176.86 174.59 2ipi s PRO 451 N -2.96 3.88 -0.30 -0.72 0.04 -1.22 -4.68 135.00 129.04 2ipi s PRO 451 Ca 0.44 1.96 0.03 0.00 0.04 0.00 0.00 61.00 63.47 2ipi s PRO 451 Cb 0.21 -2.60 0.17 0.00 0.04 0.00 0.00 34.50 32.31 2ipi s PRO 451 CO -0.07 -0.51 0.45 0.34 0.04 0.00 0.00 177.00 177.26 2ipi s ASP 452 N -1.04 -0.06 0.00 6.66 2.15 -1.26 -4.68 116.67 118.44 2ipi s ASP 452 Ca 0.60 -0.36 0.26 0.00 0.43 0.00 0.00 52.55 53.48 2ipi s ASP 452 Cb -0.33 1.30 1.29 0.00 -0.30 0.00 0.00 42.92 44.88 2ipi s ASP 452 CO 0.42 -0.33 1.89 0.55 -0.17 0.00 0.00 175.17 177.52 2ipi n VAL 453 N 5.26 0.16 0.30 1.11 3.14 -1.26 -2.00 118.33 125.05 2ipi n VAL 453 Ca 0.03 0.04 0.18 0.00 -2.96 0.00 0.00 64.34 61.63 2ipi n VAL 453 Cb 0.50 -0.60 0.83 0.00 -1.06 0.00 0.00 33.84 33.51 2ipi n VAL 453 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 2ipi h ASP 454 N 0.00 0.00 0.68 6.55 3.45 -1.96 -2.92 116.42 122.22 2ipi h ASP 454 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2ipi h ASP 454 Cb 0.29 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.06 2ipi h ASP 454 CO 0.00 0.00 0.00 0.18 -1.57 0.00 0.00 179.24 177.85 2ipi n LEU 455 N -2.94 0.59 -2.01 1.55 4.77 -0.85 -0.17 117.00 117.94 2ipi n LEU 455 Ca -0.01 0.65 -0.25 0.00 -0.03 0.00 0.00 56.01 56.38 2ipi n LEU 455 Cb 0.21 -0.57 0.06 0.00 -2.33 0.00 0.00 43.42 40.78 2ipi n LEU 455 CO 0.23 -0.54 0.60 0.52 -1.33 0.00 0.00 177.39 176.87 2ipi n VAL 456 N -2.16 2.85 -4.07 4.08 0.31 -1.10 -4.33 118.33 113.91 2ipi n VAL 456 Ca 0.02 -3.69 -0.33 0.00 -0.01 0.00 0.00 64.34 60.33 2ipi n VAL 456 Cb 0.22 -1.06 -0.15 0.00 -0.91 0.00 0.00 33.84 31.94 2ipi n VAL 456 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2ipi s ASP 457 N -2.98 4.07 0.26 4.52 3.68 0.76 -4.98 116.67 121.99 2ipi s ASP 457 Ca 0.54 -1.13 0.09 0.00 2.13 0.00 0.00 52.55 54.18 2ipi s ASP 457 Cb 0.44 -1.55 0.33 0.00 -1.45 0.00 0.00 42.92 40.69 2ipi s ASP 457 CO 0.02 -0.13 1.60 -0.33 0.13 0.00 0.00 175.17 176.46 2ipi h GLU 458 N 7.85 0.07 -1.76 4.34 5.08 -1.84 -2.35 114.58 125.98 2ipi h GLU 458 Ca -0.28 -0.05 -0.26 0.00 -1.00 0.00 0.00 59.36 57.77 2ipi h GLU 458 Cb 1.08 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 30.23 2ipi h GLU 458 CO 0.53 0.66 0.23 0.54 -1.00 0.00 0.00 179.01 179.97 2ipi n ARG 459 N -3.83 1.73 0.00 2.33 1.74 -1.26 -4.23 116.66 113.15 2ipi n ARG 459 Ca -0.02 -1.26 0.00 0.00 -0.77 0.00 0.00 57.85 55.80 2ipi n ARG 459 Cb 0.61 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 2ipi n ARG 459 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 2ipi n TRP 460 N 0.92 0.00 -2.10 -1.55 5.03 -1.19 -5.19 117.44 113.37 2ipi n TRP 460 Ca 0.27 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.80 2ipi n TRP 460 Cb 0.59 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.87 2ipi n TRP 460 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 2ipi n ASN 461 N -0.71 0.08 -3.45 -0.99 3.02 -0.89 -4.84 115.26 107.47 2ipi n ASN 461 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.36 2ipi n ASN 461 Cb 0.00 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.20 2ipi n ASN 461 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2ipi n THR 462 N 0.00 -7.20 -3.15 3.41 -1.04 -1.20 -4.49 114.28 100.61 2ipi n THR 462 Ca 0.00 -0.64 -0.45 0.00 -2.04 0.00 0.00 64.05 60.93 2ipi n THR 462 Cb 0.00 -5.19 -0.05 0.00 -1.82 0.00 0.00 70.33 63.27 2ipi n THR 462 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2ipi s SER 463 N -3.23 6.18 0.00 8.00 0.01 -1.22 -4.35 113.70 119.10 2ipi s SER 463 Ca 0.25 -1.47 0.00 0.00 1.31 0.00 0.00 55.95 56.03 2ipi s SER 463 Cb -0.07 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.87 2ipi s SER 463 CO 0.82 -1.06 0.00 0.61 0.41 0.00 0.00 173.24 174.02 2ipi n GLY 464 N 5.27 3.07 3.58 3.44 0.00 -1.26 -4.56 105.19 114.73 2ipi n GLY 464 Ca -0.10 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.59 2ipi n GLY 464 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ipi s VAL 465 N -0.58 4.08 0.81 1.61 1.01 -1.26 -5.10 120.40 120.96 2ipi s VAL 465 Ca 0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 61.98 61.56 2ipi s VAL 465 Cb 0.00 -2.75 0.08 0.00 0.00 0.00 0.00 36.38 33.70 2ipi s VAL 465 CO 0.00 0.54 1.09 -2.16 0.00 0.00 0.00 175.10 174.57 2ipi s PRO 466 N -0.19 2.00 0.30 2.72 0.04 -1.26 -4.85 135.00 133.77 2ipi s PRO 466 Ca 0.04 0.91 0.01 0.00 0.04 0.00 0.00 61.00 62.01 2ipi s PRO 466 Cb -0.13 -1.89 0.56 0.00 0.04 0.00 0.00 34.50 33.08 2ipi s PRO 466 CO 0.02 -1.75 1.90 0.11 0.04 0.00 0.00 177.00 177.33 2ipi h TRP 467 N -1.19 1.03 -0.04 0.56 5.08 -1.98 -2.88 115.95 116.53 2ipi h TRP 467 Ca -0.46 0.03 -0.12 0.00 1.08 0.00 0.00 58.89 59.42 2ipi h TRP 467 Cb 1.25 -0.34 -0.01 0.00 -3.00 0.00 0.00 29.16 27.06 2ipi h TRP 467 CO 0.51 0.52 -0.52 0.10 -1.28 0.00 0.00 178.44 177.77 2ipi h TYR 468 N 1.00 0.14 0.00 0.12 -0.00 -1.95 -1.49 116.97 114.79 2ipi h TYR 468 Ca 0.40 -0.04 -0.12 0.00 -0.00 0.00 0.00 58.73 58.97 2ipi h TYR 468 Cb 0.27 -0.03 -0.02 0.00 -0.00 0.00 0.00 36.73 36.95 2ipi h TYR 468 CO -0.00 0.61 -0.55 1.15 -0.00 0.00 0.00 178.16 179.37 2ipi h THR 469 N 0.09 1.17 -0.59 -0.90 2.02 -1.78 1.05 112.91 113.96 2ipi h THR 469 Ca -0.00 -2.04 -0.10 0.00 0.77 0.00 0.00 66.41 65.04 2ipi h THR 469 Cb 0.95 2.18 -0.02 0.00 -1.74 0.00 0.00 68.15 69.52 2ipi h THR 469 CO 0.07 0.54 -0.03 -0.07 0.37 0.00 0.00 175.52 176.40 2ipi h LEU 470 N 0.00 1.05 0.13 2.58 3.38 -1.10 -1.50 115.31 119.85 2ipi h LEU 470 Ca -0.01 -0.32 -0.35 0.00 0.09 0.00 0.00 57.88 57.30 2ipi h LEU 470 Cb 1.13 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2ipi h LEU 470 CO 0.07 1.11 -1.87 1.88 0.09 0.00 0.00 178.44 179.72 2ipi h TYR 471 N 0.96 0.49 -0.01 1.13 -1.99 -1.20 -0.65 116.97 115.70 2ipi h TYR 471 Ca 0.16 -0.36 0.00 0.00 2.00 0.00 0.00 58.73 60.53 2ipi h TYR 471 Cb 0.59 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.30 2ipi h TYR 471 CO 0.04 1.74 -0.08 0.66 -0.00 0.00 0.00 178.16 180.52 2ipi n TYR 472 N -3.60 0.00 0.00 4.88 4.01 0.36 -4.74 117.16 118.07 2ipi n TYR 472 Ca -0.30 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.44 2ipi n TYR 472 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.05 2ipi n TYR 472 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2ipi n LYS 473 N 0.16 0.00 -0.01 -0.72 5.02 -0.56 -1.77 118.16 120.27 2ipi n LYS 473 Ca 0.04 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.47 2ipi n LYS 473 Cb 0.20 0.00 0.69 0.00 -0.02 0.00 0.00 35.03 35.90 2ipi n LYS 473 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ipi n GLY 474 N 0.00 -0.61 0.38 0.72 0.00 -1.26 -3.83 105.19 100.59 2ipi n GLY 474 Ca 0.00 -0.26 0.13 0.00 0.00 0.00 0.00 46.02 45.89 2ipi n GLY 474 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ipi n ASN 475 N -0.52 1.32 -0.03 1.61 3.02 -0.73 -4.54 115.26 115.38 2ipi n ASN 475 Ca 0.20 -1.24 -0.13 0.00 -0.03 0.00 0.00 54.58 53.38 2ipi n ASN 475 Cb 0.18 0.06 -0.08 0.00 -0.61 0.00 0.00 39.78 39.33 2ipi n ASN 475 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2ipi h TYR 476 N 1.88 0.21 -0.97 3.10 5.03 -1.69 -2.59 116.97 121.95 2ipi h TYR 476 Ca 0.00 -0.06 0.25 0.00 2.58 0.00 0.00 58.73 61.51 2ipi h TYR 476 Cb 0.51 -0.05 -0.13 0.00 1.55 0.00 0.00 36.73 38.61 2ipi h TYR 476 CO 0.00 0.57 0.52 -1.35 -1.32 0.00 0.00 178.16 176.57 2ipi h PRO 477 N -0.20 0.45 -0.07 1.82 0.11 -1.90 0.28 132.00 132.49 2ipi h PRO 477 Ca 0.02 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.94 2ipi h PRO 477 Cb 0.52 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 2ipi h PRO 477 CO 0.01 0.30 -0.64 -0.09 -0.21 0.00 0.00 178.00 177.37 2ipi h ARG 478 N 0.46 0.27 -0.88 1.05 2.43 -1.83 -2.79 114.38 113.10 2ipi h ARG 478 Ca 0.63 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.60 2ipi h ARG 478 Cb 1.26 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.80 2ipi h ARG 478 CO -0.52 0.82 0.52 -0.07 -1.51 0.00 0.00 179.97 179.21 2ipi h LEU 479 N 0.20 1.06 -1.87 3.80 3.38 -0.61 -1.72 115.31 119.55 2ipi h LEU 479 Ca -0.01 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2ipi h LEU 479 Cb 1.17 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2ipi h LEU 479 CO 0.10 0.82 0.05 1.56 0.09 0.00 0.00 178.44 181.06 2ipi h GLN 480 N 1.21 0.13 -0.30 1.13 4.20 -0.94 -1.95 115.11 118.58 2ipi h GLN 480 Ca 0.31 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.93 2ipi h GLN 480 Cb -0.04 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2ipi h GLN 480 CO -0.06 0.11 -0.13 0.87 -0.67 0.00 0.00 178.83 178.95 2ipi h LYS 481 N 0.14 0.63 -0.16 1.46 1.57 -1.05 -2.53 116.57 116.63 2ipi h LYS 481 Ca 0.04 -0.27 -0.11 0.00 -1.87 0.00 0.00 60.65 58.44 2ipi h LYS 481 Cb 0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2ipi h LYS 481 CO -0.01 0.84 -0.38 0.28 -0.57 0.00 0.00 179.45 179.62 2ipi h VAL 482 N 0.38 1.30 -0.41 0.50 2.07 -1.31 -0.63 116.25 118.14 2ipi h VAL 482 Ca 0.07 -1.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 2ipi h VAL 482 Cb 0.65 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 2ipi h VAL 482 CO 0.04 0.45 0.23 0.50 0.02 0.00 0.00 177.57 178.81 2ipi h LYS 483 N 0.29 0.58 -0.12 1.57 1.63 -1.27 -0.80 116.57 118.45 2ipi h LYS 483 Ca 0.03 -0.07 -0.21 0.00 -0.85 0.00 0.00 60.65 59.55 2ipi h LYS 483 Cb 0.80 -0.11 0.01 0.00 -0.60 0.00 0.00 32.23 32.33 2ipi h LYS 483 CO 0.06 0.46 -0.74 0.00 -3.45 0.00 0.00 179.45 175.78 2ipi h ALA 484 N 1.08 0.25 -0.26 5.00 0.00 -1.10 -0.98 119.26 123.26 2ipi h ALA 484 Ca 0.15 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 2ipi h ALA 484 Cb 0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2ipi h ALA 484 CO -0.02 0.60 0.09 0.00 0.00 0.00 0.00 179.25 179.92 2ipi h ARG 485 N 0.41 0.40 0.00 0.00 3.08 -1.09 -3.02 114.38 114.15 2ipi h ARG 485 Ca -0.06 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.91 2ipi h ARG 485 Cb 1.38 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.37 2ipi h ARG 485 CO 0.15 0.45 -1.23 0.91 -1.07 0.00 0.00 179.97 179.19 2ipi n TRP 486 N -4.76 0.00 -2.91 3.04 8.01 -0.31 -4.53 117.44 115.98 2ipi n TRP 486 Ca -0.03 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 55.94 2ipi n TRP 486 Cb 0.14 -0.16 -0.02 0.00 -2.01 0.00 0.00 31.31 29.27 2ipi n TRP 486 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 2ipi n ASP 487 N -1.69 3.09 0.27 -0.99 2.03 -0.37 -4.12 116.55 114.76 2ipi n ASP 487 Ca 0.01 -3.38 0.13 0.00 0.52 0.00 0.00 54.79 52.07 2ipi n ASP 487 Cb 0.36 -0.56 0.77 0.00 -0.72 0.00 0.00 41.12 40.97 2ipi n ASP 487 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2ipi h PRO 488 N 2.93 0.00 -0.54 -0.67 0.11 -1.66 -0.10 132.00 132.06 2ipi h PRO 488 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2ipi h PRO 488 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2ipi h PRO 488 CO 0.69 0.09 0.00 0.54 -0.21 0.00 0.00 178.00 179.11 2ipi n ARG 489 N -3.68 2.34 -3.75 1.05 1.74 -1.26 -4.98 116.66 108.11 2ipi n ARG 489 Ca -0.02 -2.08 -0.29 0.00 -0.77 0.00 0.00 57.85 54.69 2ipi n ARG 489 Cb 0.20 -1.46 0.03 0.00 -1.02 0.00 0.00 32.46 30.21 2ipi n ARG 489 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2ipi n ASP 490 N 1.20 -3.63 0.07 0.55 2.03 -0.05 -4.88 116.55 111.84 2ipi n ASP 490 Ca 0.19 -1.00 -0.09 0.00 0.52 0.00 0.00 54.79 54.42 2ipi n ASP 490 Cb 0.50 -3.35 -0.12 0.00 -0.72 0.00 0.00 41.12 37.43 2ipi n ASP 490 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2ipi h VAL 491 N -1.88 1.68 -3.38 5.18 2.07 -1.92 -3.41 116.25 114.58 2ipi h VAL 491 Ca -0.65 -3.36 -0.72 0.00 0.82 0.00 0.00 66.70 62.79 2ipi h VAL 491 Cb 1.36 2.87 -0.29 0.00 -1.52 0.00 0.00 31.29 33.71 2ipi h VAL 491 CO 0.53 0.96 -0.44 -0.36 0.02 0.00 0.00 177.57 178.28 2ipi s PHE 492 N -2.70 3.40 0.08 1.57 0.40 -1.26 -4.45 117.98 115.02 2ipi s PHE 492 Ca 0.00 -1.77 -0.01 0.00 -0.60 0.00 0.00 56.93 54.55 2ipi s PHE 492 Cb 0.09 -3.22 -0.04 0.00 0.51 0.00 0.00 43.02 40.36 2ipi s PHE 492 CO 0.83 -0.93 0.01 0.50 0.70 0.00 0.00 175.22 176.34 2ipi s ARG 493 N 1.37 0.74 0.18 0.44 3.52 -1.21 -4.28 118.95 119.71 2ipi s ARG 493 Ca 0.05 -1.30 -0.22 0.00 -0.13 0.00 0.00 55.73 54.13 2ipi s ARG 493 Cb -0.24 0.23 0.08 0.00 -1.56 0.00 0.00 34.95 33.45 2ipi s ARG 493 CO 0.00 -0.17 1.03 -3.38 -0.81 0.00 0.00 175.30 171.97 2ipi s HIS 494 N -3.97 0.05 0.15 5.12 -3.43 -1.26 -4.96 115.29 106.99 2ipi s HIS 494 Ca 0.14 -0.44 -0.17 0.00 -0.80 0.00 0.00 55.06 53.79 2ipi s HIS 494 Cb 0.08 0.69 0.01 0.00 -1.43 0.00 0.00 32.58 31.93 2ipi s HIS 494 CO -0.05 -0.91 1.79 0.00 -2.00 0.00 0.00 174.74 173.56 2ipi h ALA 495 N 2.00 0.43 -1.03 -1.38 0.00 -1.99 -2.59 119.26 114.71 2ipi h ALA 495 Ca -0.27 -0.01 -0.69 0.00 0.00 0.00 0.00 54.91 53.94 2ipi h ALA 495 Cb 1.22 -0.10 -0.31 0.00 0.00 0.00 0.00 17.79 18.60 2ipi h ALA 495 CO 0.35 -0.15 0.58 1.28 0.00 0.00 0.00 179.25 181.30 2ipi n LEU 496 N -4.90 7.00 -4.80 0.00 4.32 -1.26 -4.97 117.00 112.40 2ipi n LEU 496 Ca -0.00 -4.65 -0.38 0.00 -0.02 0.00 0.00 56.01 50.96 2ipi n LEU 496 Cb 0.06 -0.88 -0.06 0.00 -1.62 0.00 0.00 43.42 40.91 2ipi n LEU 496 CO 0.32 1.73 0.22 -0.55 -1.22 0.00 0.00 177.39 177.90 2ipi s SER 497 N -1.95 6.96 0.16 -1.43 0.15 -0.98 -5.03 113.70 111.58 2ipi s SER 497 Ca 0.57 1.14 -0.33 0.00 0.70 0.00 0.00 55.95 58.03 2ipi s SER 497 Cb 0.46 -2.33 -0.12 0.00 -1.71 0.00 0.00 66.02 62.32 2ipi s SER 497 CO -0.17 0.24 1.72 1.33 1.20 0.00 0.00 173.24 177.56 2ipi n VAL 498 N 2.03 0.12 -4.04 4.45 0.24 -1.26 -4.94 118.33 114.93 2ipi n VAL 498 Ca -0.11 -0.02 -0.34 0.00 -2.04 0.00 0.00 64.34 61.84 2ipi n VAL 498 Cb 0.51 -1.87 -0.06 0.00 -1.47 0.00 0.00 33.84 30.94 2ipi n VAL 498 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2ipi s ARG 499 N 1.64 3.19 0.58 7.34 1.81 -1.26 -5.00 118.95 127.25 2ipi s ARG 499 Ca 0.79 -0.41 -0.18 0.00 -1.72 0.00 0.00 55.73 54.22 2ipi s ARG 499 Cb -0.56 -2.95 -0.04 0.00 -0.45 0.00 0.00 34.95 30.95 2ipi s ARG 499 CO 0.36 0.67 1.10 -1.25 -0.68 0.00 0.00 175.30 175.50 2ipi s PRO 500 N -1.67 3.23 0.00 3.54 0.04 -1.26 -4.63 135.00 134.25 2ipi s PRO 500 Ca 0.23 1.45 0.12 0.00 0.04 0.00 0.00 61.00 62.84 2ipi s PRO 500 Cb -0.12 -2.00 0.71 0.00 0.04 0.00 0.00 34.50 33.12 2ipi s PRO 500 CO 0.14 -0.91 1.14 -2.30 0.04 0.00 0.00 177.00 175.10