#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1urt h THR 26 N 0.00 1.30 -2.31 2.61 2.02 -2.01 -3.42 112.91 111.11 1urt h THR 26 Ca 0.00 -2.31 -0.75 0.00 0.77 0.00 0.00 66.41 64.12 1urt h THR 26 Cb 0.00 2.82 -0.19 0.00 -1.74 0.00 0.00 68.15 69.03 1urt h THR 26 CO 0.00 0.53 1.29 0.54 0.37 0.00 0.00 175.52 178.25 1urt n ARG 27 N -4.38 3.48 -5.19 6.66 1.74 -1.26 -4.82 116.66 112.89 1urt n ARG 27 Ca -0.21 -3.93 -0.32 0.00 -0.77 0.00 0.00 57.85 52.62 1urt n ARG 27 Cb 0.66 -2.92 -0.15 0.00 -1.02 0.00 0.00 32.46 29.02 1urt n ARG 27 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1urt s GLN 28 N 0.76 2.30 0.24 5.56 -1.52 -1.26 -3.41 119.66 122.32 1urt s GLN 28 Ca 0.40 -0.86 0.08 0.00 -1.95 0.00 0.00 55.36 53.03 1urt s GLN 28 Cb -0.02 -2.15 -0.04 0.00 -0.22 0.00 0.00 33.01 30.58 1urt s GLN 28 CO -0.01 0.54 0.07 -1.12 -0.25 0.00 0.00 175.29 174.53 1urt s SER 29 N -0.56 4.97 0.66 5.90 0.01 -1.26 -4.62 113.70 118.81 1urt s SER 29 Ca 0.08 -0.44 -0.05 0.00 1.31 0.00 0.00 55.95 56.85 1urt s SER 29 Cb -0.11 -1.10 0.05 0.00 0.21 0.00 0.00 66.02 65.07 1urt s SER 29 CO 0.00 0.01 0.96 -2.16 0.41 0.00 0.00 173.24 172.46 1urt s PRO 30 N -3.56 2.35 0.25 12.44 0.04 -1.26 -4.59 135.00 140.67 1urt s PRO 30 Ca 0.31 -0.32 0.01 0.00 0.04 0.00 0.00 61.00 61.04 1urt s PRO 30 Cb -0.08 -2.24 -0.00 0.00 0.04 0.00 0.00 34.50 32.22 1urt s PRO 30 CO 0.22 -1.07 0.03 0.44 0.04 0.00 0.00 177.00 176.66 1urt n ILE 31 N -2.77 0.00 -3.76 0.56 -5.35 -1.26 0.66 119.36 107.43 1urt n ILE 31 Ca 0.07 -1.27 -0.38 0.00 -0.27 0.00 0.00 62.75 60.91 1urt n ILE 31 Cb 0.60 0.34 -0.12 0.00 -1.74 0.00 0.00 39.64 38.72 1urt n ILE 31 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1urt s ASN 32 N -2.41 5.28 -0.57 7.28 2.47 -1.26 -2.88 114.94 122.85 1urt s ASN 32 Ca 0.05 -1.13 -0.27 0.00 0.42 0.00 0.00 52.86 51.93 1urt s ASN 32 Cb 0.00 -1.86 -0.01 0.00 -1.45 0.00 0.00 41.25 37.94 1urt s ASN 32 CO 0.03 -0.32 1.66 -0.63 -3.72 0.00 0.00 177.10 174.13 1urt s ILE 33 N 1.40 3.54 -0.14 -5.21 1.01 0.51 -4.72 121.20 117.58 1urt s ILE 33 Ca -0.02 0.40 -0.03 0.00 0.00 0.00 0.00 60.65 61.01 1urt s ILE 33 Cb -0.19 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 1urt s ILE 33 CO 0.03 -1.01 -0.05 -1.10 0.00 0.00 0.00 174.94 172.80 1urt s GLN 34 N 6.27 3.54 0.31 2.79 -0.21 -1.26 0.26 119.66 131.36 1urt s GLN 34 Ca 0.61 -0.54 0.03 0.00 0.02 0.00 0.00 55.36 55.48 1urt s GLN 34 Cb -0.13 -2.85 0.79 0.00 1.00 0.00 0.00 33.01 31.82 1urt s GLN 34 CO 0.23 0.28 1.58 2.35 -2.12 0.00 0.00 175.29 177.62 1urt h TRP 35 N 6.54 0.08 0.00 0.91 2.91 -1.97 -0.26 115.95 124.17 1urt h TRP 35 Ca -0.32 0.07 -0.02 0.00 1.13 0.00 0.00 58.89 59.74 1urt h TRP 35 Cb 1.19 0.12 -0.00 0.00 -0.51 0.00 0.00 29.16 29.96 1urt h TRP 35 CO 0.53 -0.40 -0.11 1.57 -1.03 0.00 0.00 178.44 179.00 1urt h LYS 36 N 0.04 0.00 -0.02 2.65 2.10 -2.01 -2.97 116.57 116.35 1urt h LYS 36 Ca 0.61 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.26 1urt h LYS 36 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1urt h LYS 36 CO -0.86 0.11 -0.16 -0.25 -2.00 0.00 0.00 179.45 176.29 1urt n ASP 37 N -3.57 2.42 -4.77 7.07 8.00 -0.11 -4.97 116.55 120.62 1urt n ASP 37 Ca -0.02 -1.73 -0.39 0.00 0.71 0.00 0.00 54.79 53.36 1urt n ASP 37 Cb 0.24 0.15 -0.06 0.00 -0.02 0.00 0.00 41.12 41.44 1urt n ASP 37 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1urt s SER 38 N -2.17 7.33 -0.16 -2.24 0.01 -1.13 -4.23 113.70 111.11 1urt s SER 38 Ca 0.26 1.58 -0.02 0.00 1.31 0.00 0.00 55.95 59.08 1urt s SER 38 Cb 0.19 -2.48 0.05 0.00 0.21 0.00 0.00 66.02 63.99 1urt s SER 38 CO 0.40 0.18 0.03 0.54 0.41 0.00 0.00 173.24 174.80 1urt s VAL 39 N -0.97 0.49 0.41 3.43 0.11 -0.32 -4.93 120.40 118.63 1urt s VAL 39 Ca 0.36 -0.39 -0.26 0.00 -2.93 0.00 0.00 61.98 58.76 1urt s VAL 39 Cb -0.22 -0.91 -0.10 0.00 -1.53 0.00 0.00 36.38 33.61 1urt s VAL 39 CO 0.25 -0.09 1.24 0.00 -3.33 0.00 0.00 175.10 173.17 1urt n TYR 40 N 5.07 2.02 -3.85 1.54 9.36 -1.26 -1.44 117.16 128.61 1urt n TYR 40 Ca -0.09 0.52 -0.30 0.00 3.32 0.00 0.00 57.90 61.35 1urt n TYR 40 Cb 0.48 -2.36 -0.15 0.00 -0.63 0.00 0.00 39.34 36.67 1urt n TYR 40 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1urt s ASP 41 N -0.53 3.98 0.00 2.98 2.15 -0.66 -4.75 116.67 119.84 1urt s ASP 41 Ca 0.60 -1.50 0.17 0.00 0.43 0.00 0.00 52.55 52.26 1urt s ASP 41 Cb -0.53 -1.06 0.93 0.00 -0.30 0.00 0.00 42.92 41.97 1urt s ASP 41 CO 0.58 -0.34 1.49 -0.81 -0.17 0.00 0.00 175.17 175.92 1urt n PRO 42 N 4.71 0.36 0.03 4.34 -0.04 -1.26 -2.94 135.00 140.19 1urt n PRO 42 Ca -0.05 0.08 0.13 0.00 -0.04 0.00 0.00 63.50 63.62 1urt n PRO 42 Cb 0.43 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.78 1urt n PRO 42 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1urt n GLN 43 N -1.18 0.09 -1.90 0.54 1.13 -1.26 -4.88 117.38 109.92 1urt n GLN 43 Ca 0.10 0.05 -0.43 0.00 -1.94 0.00 0.00 57.00 54.78 1urt n GLN 43 Cb 0.11 -1.58 -0.03 0.00 0.11 0.00 0.00 30.24 28.86 1urt n GLN 43 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1urt s LEU 44 N -3.43 4.03 0.42 1.08 1.43 -1.15 -4.99 118.68 116.07 1urt s LEU 44 Ca 0.11 2.03 -0.25 0.00 -1.03 0.00 0.00 54.13 55.00 1urt s LEU 44 Cb 0.17 -3.53 -0.08 0.00 0.03 0.00 0.00 46.19 42.78 1urt s LEU 44 CO 0.63 -1.27 1.20 0.00 0.23 0.00 0.00 176.35 177.14 1urt s ALA 45 N 5.34 3.11 0.46 4.21 0.00 -1.26 -4.88 121.76 128.74 1urt s ALA 45 Ca 0.81 1.02 -0.23 0.00 0.00 0.00 0.00 51.96 53.57 1urt s ALA 45 Cb -0.32 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.29 1urt s ALA 45 CO 0.33 -0.66 0.94 -2.30 0.00 0.00 0.00 175.76 174.08 1urt n PRO 46 N -0.11 1.17 -2.83 0.00 -0.02 -1.26 -0.08 135.00 131.86 1urt n PRO 46 Ca 0.05 0.43 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 1urt n PRO 46 Cb 0.46 -2.01 -0.04 0.00 -0.02 0.00 0.00 33.50 31.90 1urt n PRO 46 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1urt s LEU 47 N -0.56 4.06 -0.49 2.45 2.96 -1.26 -2.97 118.68 122.87 1urt s LEU 47 Ca 0.66 0.95 -0.12 0.00 -0.22 0.00 0.00 54.13 55.40 1urt s LEU 47 Cb -0.53 -3.26 0.11 0.00 0.50 0.00 0.00 46.19 43.01 1urt s LEU 47 CO 0.55 -0.64 0.39 -0.13 -1.32 0.00 0.00 176.35 175.20 1urt s ARG 48 N 3.08 2.70 -0.32 1.98 0.52 0.20 -4.94 118.95 122.18 1urt s ARG 48 Ca 0.37 -1.67 -0.17 0.00 -0.52 0.00 0.00 55.73 53.75 1urt s ARG 48 Cb -0.14 -4.04 -0.02 0.00 0.52 0.00 0.00 34.95 31.27 1urt s ARG 48 CO 0.10 -1.19 0.46 0.08 0.02 0.00 0.00 175.30 174.78 1urt s VAL 49 N 1.47 5.08 -0.19 3.52 1.01 -1.26 -2.57 120.40 127.46 1urt s VAL 49 Ca 0.04 0.44 -0.04 0.00 0.00 0.00 0.00 61.98 62.43 1urt s VAL 49 Cb -0.27 -3.86 0.09 0.00 0.00 0.00 0.00 36.38 32.34 1urt s VAL 49 CO 0.02 -0.07 0.26 -0.55 0.00 0.00 0.00 175.10 174.75 1urt s SER 50 N 1.69 0.93 0.12 3.32 0.15 -1.10 -5.07 113.70 113.74 1urt s SER 50 Ca 0.17 0.06 0.10 0.00 0.70 0.00 0.00 55.95 56.98 1urt s SER 50 Cb -0.16 0.58 -0.04 0.00 -1.71 0.00 0.00 66.02 64.69 1urt s SER 50 CO 0.12 -0.30 -0.23 -0.31 1.20 0.00 0.00 173.24 173.72 1urt s TYR 51 N 2.38 2.41 -0.54 3.44 2.02 -1.26 -1.89 117.35 123.92 1urt s TYR 51 Ca 0.06 -0.33 -0.20 0.00 -0.37 0.00 0.00 57.07 56.24 1urt s TYR 51 Cb -0.15 -1.31 0.07 0.00 -0.40 0.00 0.00 41.96 40.17 1urt s TYR 51 CO -0.12 0.34 0.71 0.34 -1.57 0.00 0.00 175.55 175.26 1urt s ASP 52 N -2.02 6.22 0.54 2.29 2.15 -1.26 -4.91 116.67 119.68 1urt s ASP 52 Ca 0.15 -0.98 0.24 0.00 0.43 0.00 0.00 52.55 52.39 1urt s ASP 52 Cb -0.10 -2.32 1.41 0.00 -0.30 0.00 0.00 42.92 41.61 1urt s ASP 52 CO 0.07 -1.03 2.04 0.00 -0.17 0.00 0.00 175.17 176.08 1urt h ALA 53 N 9.13 2.28 0.00 3.66 0.00 -1.97 -0.81 119.26 131.55 1urt h ALA 53 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1urt h ALA 53 Cb 1.09 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1urt h ALA 53 CO 1.03 -0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.82 1urt h ALA 54 N 1.79 1.00 -0.06 0.00 0.00 -1.91 -1.59 119.26 118.49 1urt h ALA 54 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1urt h ALA 54 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1urt h ALA 54 CO -0.00 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.12 1urt n SER 55 N -2.37 0.48 -4.78 0.00 3.41 -0.31 -4.63 113.62 105.42 1urt n SER 55 Ca 0.01 -1.63 -0.36 0.00 -0.26 0.00 0.00 58.87 56.62 1urt n SER 55 Cb 0.17 -0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 64.04 1urt n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1urt n ARG 57 N -0.27 0.00 -3.65 0.00 5.12 -0.35 -4.46 116.66 113.06 1urt n ARG 57 Ca 0.06 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.87 1urt n ARG 57 Cb 0.50 -0.35 -0.05 0.00 -1.16 0.00 0.00 32.46 31.40 1urt n ARG 57 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 1urt s TYR 58 N -1.99 -0.23 0.10 -1.55 1.13 -1.21 -0.18 117.35 113.42 1urt s TYR 58 Ca 0.00 0.04 0.05 0.00 -1.41 0.00 0.00 57.07 55.75 1urt s TYR 58 Cb 0.00 0.24 -0.04 0.00 -1.10 0.00 0.00 41.96 41.06 1urt s TYR 58 CO 0.00 -0.65 0.02 -1.17 -2.51 0.00 0.00 175.55 171.24 1urt s LEU 59 N -2.46 3.52 0.19 -3.49 0.20 -0.58 0.14 118.68 116.20 1urt s LEU 59 Ca -0.01 -0.17 -0.23 0.00 0.69 0.00 0.00 54.13 54.42 1urt s LEU 59 Cb 0.01 -2.23 0.06 0.00 -0.43 0.00 0.00 46.19 43.59 1urt s LEU 59 CO -0.08 0.16 0.65 -1.66 -0.29 0.00 0.00 176.35 175.13 1urt s TRP 60 N -1.38 -0.43 -0.51 5.38 1.48 0.14 -1.82 118.94 121.81 1urt s TRP 60 Ca 0.27 0.15 -0.16 0.00 -1.06 0.00 0.00 56.10 55.30 1urt s TRP 60 Cb -0.11 0.60 0.10 0.00 -1.16 0.00 0.00 33.47 32.90 1urt s TRP 60 CO 0.19 -0.95 0.46 1.21 -4.06 0.00 0.00 176.95 173.80 1urt s ASN 61 N -2.79 6.17 0.37 -2.66 3.84 -0.44 -0.77 114.94 118.66 1urt s ASN 61 Ca 0.04 -1.51 0.28 0.00 0.21 0.00 0.00 52.86 51.88 1urt s ASN 61 Cb -0.02 -2.20 1.14 0.00 -0.55 0.00 0.00 41.25 39.62 1urt s ASN 61 CO -0.07 -0.76 1.82 0.71 -2.79 0.00 0.00 177.10 176.01 1urt h THR 62 N 5.82 0.00 0.00 -5.21 1.35 -1.33 0.64 112.91 114.18 1urt h THR 62 Ca -0.29 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1urt h THR 62 Cb 1.10 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1urt h THR 62 CO 0.96 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.84 1urt n GLY 63 N -0.01 3.03 0.00 5.82 0.00 -1.26 -4.71 105.19 108.06 1urt n GLY 63 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1urt n GLY 63 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1urt n HIS 64 N -1.27 0.00 -3.83 1.61 -0.00 -1.26 -4.69 115.22 105.78 1urt n HIS 64 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.73 1urt n HIS 64 Cb 0.00 -0.03 0.01 0.00 -0.00 0.00 0.00 29.99 29.97 1urt n HIS 64 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1urt s ALA 65 N -2.06 -2.18 -0.06 1.57 0.00 -1.26 -4.87 121.76 112.90 1urt s ALA 65 Ca -0.00 0.18 -0.06 0.00 0.00 0.00 0.00 51.96 52.08 1urt s ALA 65 Cb 0.01 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 1urt s ALA 65 CO 0.04 -1.10 0.19 -0.59 0.00 0.00 0.00 175.76 174.30 1urt s PHE 66 N -2.26 3.59 0.03 0.00 -0.12 -1.26 -0.87 117.98 117.09 1urt s PHE 66 Ca 0.22 0.52 0.04 0.00 -0.05 0.00 0.00 56.93 57.66 1urt s PHE 66 Cb 0.01 -1.94 -0.02 0.00 -0.63 0.00 0.00 43.02 40.44 1urt s PHE 66 CO -0.00 0.69 -0.11 -0.65 -0.05 0.00 0.00 175.22 175.09 1urt s GLN 67 N -1.39 0.77 -0.23 1.99 -0.21 0.05 -3.80 119.66 116.84 1urt s GLN 67 Ca 0.21 -0.67 -0.08 0.00 0.02 0.00 0.00 55.36 54.84 1urt s GLN 67 Cb -0.13 -0.73 -0.04 0.00 1.00 0.00 0.00 33.01 33.12 1urt s GLN 67 CO 0.10 0.18 0.09 0.08 -2.12 0.00 0.00 175.29 173.62 1urt s VAL 68 N -0.85 4.66 -0.02 1.09 1.01 -0.92 -0.68 120.40 124.69 1urt s VAL 68 Ca -0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 1urt s VAL 68 Cb -0.07 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1urt s VAL 68 CO 0.01 0.37 0.21 -1.61 0.00 0.00 0.00 175.10 174.08 1urt s GLU 69 N 1.14 3.50 0.22 2.72 0.41 0.12 -2.81 118.70 124.00 1urt s GLU 69 Ca 0.05 -0.18 0.12 0.00 -0.41 0.00 0.00 54.97 54.54 1urt s GLU 69 Cb -0.14 -3.11 -0.05 0.00 -1.78 0.00 0.00 34.13 29.05 1urt s GLU 69 CO 0.04 0.68 -0.22 -0.06 -0.49 0.00 0.00 175.26 175.21 1urt s PHE 70 N -1.26 2.31 -0.46 1.61 0.40 -0.54 -1.21 117.98 118.83 1urt s PHE 70 Ca 0.25 -0.34 -0.22 0.00 -0.60 0.00 0.00 56.93 56.01 1urt s PHE 70 Cb -0.13 -1.10 0.03 0.00 0.51 0.00 0.00 43.02 42.33 1urt s PHE 70 CO 0.15 0.57 0.76 0.34 0.70 0.00 0.00 175.22 177.74 1urt s ASP 71 N -2.96 6.38 -0.34 1.36 2.15 0.10 -4.88 116.67 118.48 1urt s ASP 71 Ca 0.24 -0.23 0.01 0.00 0.43 0.00 0.00 52.55 53.00 1urt s ASP 71 Cb -0.07 -2.37 0.35 0.00 -0.30 0.00 0.00 42.92 40.53 1urt s ASP 71 CO 0.12 -0.92 1.78 -0.90 -0.17 0.00 0.00 175.17 175.08 1urt n ASP 72 N 6.66 5.02 -4.40 -0.34 5.75 -1.26 -4.88 116.55 123.10 1urt n ASP 72 Ca 0.01 -3.11 -0.29 0.00 -0.01 0.00 0.00 54.79 51.38 1urt n ASP 72 Cb 0.48 -0.86 -0.07 0.00 -1.03 0.00 0.00 41.12 39.64 1urt n ASP 72 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1urt n SER 73 N -0.26 2.71 -3.70 -1.12 7.64 -1.26 -4.43 113.62 113.20 1urt n SER 73 Ca 0.38 -2.66 -0.26 0.00 1.01 0.00 0.00 58.87 57.33 1urt n SER 73 Cb 0.93 -1.61 0.01 0.00 -1.01 0.00 0.00 64.21 62.53 1urt n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1urt s GLU 75 N -4.35 1.36 0.31 0.00 2.02 -1.26 -5.02 118.70 111.76 1urt s GLU 75 Ca 0.08 -1.68 0.25 0.00 0.02 0.00 0.00 54.97 53.64 1urt s GLU 75 Cb -0.01 -0.76 1.05 0.00 0.10 0.00 0.00 34.13 34.51 1urt s GLU 75 CO 0.89 -0.04 1.76 -0.44 0.02 0.00 0.00 175.26 177.45 1urt h ASP 76 N 2.46 0.00 -1.87 -0.19 5.19 -1.94 -3.45 116.42 116.61 1urt h ASP 76 Ca -0.39 0.00 -0.66 0.00 -0.62 0.00 0.00 57.03 55.37 1urt h ASP 76 Cb 1.22 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.75 1urt h ASP 76 CO 0.65 0.00 1.04 -0.24 -3.12 0.00 0.00 179.24 177.57 1urt n SER 77 N -2.39 3.12 0.00 6.45 2.88 -1.26 -4.75 113.62 117.67 1urt n SER 77 Ca 0.02 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 1urt n SER 77 Cb 0.24 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 1urt n SER 77 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1urt n GLY 78 N 4.36 0.33 3.35 0.46 0.00 -0.79 -2.63 105.19 110.26 1urt n GLY 78 Ca 0.24 -1.56 -0.18 0.00 0.00 0.00 0.00 46.02 44.52 1urt n GLY 78 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1urt s ILE 79 N -2.96 1.43 0.31 -0.61 -4.36 0.30 -2.73 121.20 112.59 1urt s ILE 79 Ca 0.00 -2.11 -0.16 0.00 -0.26 0.00 0.00 60.65 58.12 1urt s ILE 79 Cb 0.00 -2.20 0.02 0.00 1.25 0.00 0.00 42.46 41.53 1urt s ILE 79 CO 0.00 -0.47 0.66 -0.94 0.24 0.00 0.00 174.94 174.44 1urt s SER 80 N -3.32 -0.01 0.00 4.36 1.04 -1.06 -0.78 113.70 113.92 1urt s SER 80 Ca 0.25 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.74 1urt s SER 80 Cb 0.03 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.88 1urt s SER 80 CO 0.08 -1.41 0.00 0.61 0.98 0.00 0.00 173.24 173.50 1urt n GLY 81 N -0.48 -0.81 7.00 7.32 0.00 -1.26 -0.63 105.19 116.33 1urt n GLY 81 Ca -0.04 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1urt n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1urt n GLY 82 N 0.00 1.41 0.00 -0.02 0.00 0.88 -0.93 105.19 106.53 1urt n GLY 82 Ca 0.00 -0.32 0.08 0.00 0.00 0.00 0.00 46.02 45.77 1urt n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1urt n PRO 83 N 12.83 0.85 -3.29 1.61 -0.04 -1.26 -4.15 135.00 141.55 1urt n PRO 83 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 1urt n PRO 83 Cb 0.00 -1.29 -0.06 0.00 -0.04 0.00 0.00 33.50 32.12 1urt n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1urt s LEU 84 N -1.57 4.40 0.40 1.53 1.43 -0.10 -4.98 118.68 119.79 1urt s LEU 84 Ca 0.23 1.05 0.21 0.00 -1.03 0.00 0.00 54.13 54.60 1urt s LEU 84 Cb 0.11 -2.80 0.29 0.00 0.03 0.00 0.00 46.19 43.81 1urt s LEU 84 CO 0.18 0.13 1.57 1.23 0.23 0.00 0.00 176.35 179.70 1urt h GLY 85 N 5.63 0.00 -1.68 -3.19 0.00 -1.87 -3.38 103.07 98.58 1urt h GLY 85 Ca -0.46 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.78 1urt h GLY 85 CO 0.69 0.00 0.03 0.54 0.00 0.00 0.00 176.54 177.80 1urt s ASN 86 N -6.27 0.21 0.31 0.19 6.03 -1.26 -5.00 114.94 109.15 1urt s ASN 86 Ca 0.06 -1.12 -0.29 0.00 -1.03 0.00 0.00 52.86 50.48 1urt s ASN 86 Cb 0.06 0.71 -0.10 0.00 -3.03 0.00 0.00 41.25 38.89 1urt s ASN 86 CO 0.69 -1.39 1.22 -2.28 -2.03 0.00 0.00 177.10 173.30 1urt s HIS 87 N -3.17 3.27 -0.05 1.54 5.65 -1.26 -4.72 115.29 116.56 1urt s HIS 87 Ca 0.21 1.54 0.06 0.00 0.25 0.00 0.00 55.06 57.12 1urt s HIS 87 Cb -0.03 -3.51 -0.01 0.00 -1.18 0.00 0.00 32.58 27.85 1urt s HIS 87 CO 0.13 -1.29 -0.23 0.71 -0.65 0.00 0.00 174.74 173.40 1urt s TYR 88 N -1.15 2.26 0.16 3.88 1.51 0.04 -4.20 117.35 119.84 1urt s TYR 88 Ca 0.47 -0.63 -0.21 0.00 -1.01 0.00 0.00 57.07 55.69 1urt s TYR 88 Cb -0.36 -1.48 -0.08 0.00 -0.11 0.00 0.00 41.96 39.93 1urt s TYR 88 CO 0.48 -0.18 0.69 1.03 -1.11 0.00 0.00 175.55 176.46 1urt s ARG 89 N -0.19 4.33 0.04 -0.62 0.52 -0.41 -0.53 118.95 122.09 1urt s ARG 89 Ca -0.02 0.91 -0.31 0.00 -0.52 0.00 0.00 55.73 55.80 1urt s ARG 89 Cb -0.13 -3.12 -0.06 0.00 0.52 0.00 0.00 34.95 32.17 1urt s ARG 89 CO 0.03 0.53 1.31 -1.17 0.02 0.00 0.00 175.30 176.02 1urt s LEU 90 N -1.44 4.34 -0.11 2.53 2.96 -1.08 -1.26 118.68 124.62 1urt s LEU 90 Ca 0.36 2.10 -0.03 0.00 -0.22 0.00 0.00 54.13 56.34 1urt s LEU 90 Cb -0.20 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 42.86 1urt s LEU 90 CO 0.22 -0.61 -0.12 1.17 -1.32 0.00 0.00 176.35 175.69 1urt n LYS 91 N 4.57 0.25 -3.78 1.98 3.00 -0.86 -4.58 118.16 118.74 1urt n LYS 91 Ca 0.11 0.09 -0.02 0.00 -0.00 0.00 0.00 58.31 58.48 1urt n LYS 91 Cb 0.44 -1.05 -0.00 0.00 0.00 0.00 0.00 35.03 34.42 1urt n LYS 91 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1urt s GLN 92 N -2.21 1.07 -0.16 1.64 1.03 -1.14 -1.47 119.66 118.43 1urt s GLN 92 Ca -0.15 -0.63 -0.14 0.00 0.04 0.00 0.00 55.36 54.48 1urt s GLN 92 Cb 0.05 0.34 0.04 0.00 0.03 0.00 0.00 33.01 33.47 1urt s GLN 92 CO 0.22 -0.50 0.41 -0.59 -2.54 0.00 0.00 175.29 172.30 1urt s PHE 93 N -2.77 -0.47 0.29 9.60 -0.12 -1.12 -1.00 117.98 122.38 1urt s PHE 93 Ca 0.16 1.13 0.04 0.00 -0.05 0.00 0.00 56.93 58.21 1urt s PHE 93 Cb -0.01 0.17 -0.02 0.00 -0.63 0.00 0.00 43.02 42.53 1urt s PHE 93 CO 0.02 -0.23 0.15 -2.39 -0.05 0.00 0.00 175.22 172.72 1urt n HIS 94 N 2.98 -0.18 -4.17 3.49 1.44 -0.72 -2.15 115.22 115.91 1urt n HIS 94 Ca -0.14 -2.05 -0.14 0.00 -2.01 0.00 0.00 57.72 53.38 1urt n HIS 94 Cb 0.57 0.09 -0.11 0.00 0.12 0.00 0.00 29.99 30.66 1urt n HIS 94 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1urt s PHE 95 N -2.84 1.01 -0.02 -1.40 0.40 -1.25 -0.90 117.98 112.98 1urt s PHE 95 Ca 0.22 -0.68 0.04 0.00 -0.60 0.00 0.00 56.93 55.90 1urt s PHE 95 Cb 0.01 -0.56 -0.01 0.00 0.51 0.00 0.00 43.02 42.97 1urt s PHE 95 CO 0.15 -0.02 -0.13 -1.01 0.70 0.00 0.00 175.22 174.91 1urt s HIS 96 N -2.54 1.17 0.27 0.36 3.76 -0.30 -4.64 115.29 113.38 1urt s HIS 96 Ca 0.05 -0.24 -0.15 0.00 -0.15 0.00 0.00 55.06 54.57 1urt s HIS 96 Cb -0.02 -0.77 0.01 0.00 1.11 0.00 0.00 32.58 32.91 1urt s HIS 96 CO -0.01 -0.04 0.59 1.67 -0.85 0.00 0.00 174.74 176.10 1urt s TRP 97 N -0.20 0.19 0.51 1.40 -2.14 -1.19 -1.53 118.94 115.98 1urt s TRP 97 Ca 0.03 -0.61 0.04 0.00 2.66 0.00 0.00 56.10 58.23 1urt s TRP 97 Cb -0.06 0.40 0.01 0.00 -3.10 0.00 0.00 33.47 30.72 1urt s TRP 97 CO -0.00 -1.13 0.24 0.20 -2.66 0.00 0.00 176.95 173.60 1urt s GLY 98 N -3.00 2.57 0.00 3.67 0.00 -1.20 -1.64 107.32 107.71 1urt s GLY 98 Ca 0.18 -1.13 0.29 0.00 0.00 0.00 0.00 44.72 44.06 1urt s GLY 98 CO 0.09 -2.01 2.08 0.00 0.00 0.00 0.00 173.10 173.26 1urt n ALA 99 N -1.52 2.61 -2.83 3.20 0.00 -1.26 -4.42 120.51 116.28 1urt n ALA 99 Ca -0.07 -0.18 -0.10 0.00 0.00 0.00 0.00 53.44 53.09 1urt n ALA 99 Cb 0.65 -1.47 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 1urt n ALA 99 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1urt s THR 100 N -2.00 0.08 -0.35 0.00 2.01 -1.26 -5.02 115.64 109.10 1urt s THR 100 Ca 0.44 -1.02 0.26 0.00 0.31 0.00 0.00 61.69 61.67 1urt s THR 100 Cb 0.20 -1.47 0.28 0.00 0.01 0.00 0.00 72.50 71.52 1urt s THR 100 CO 0.34 -0.39 1.77 0.44 -0.69 0.00 0.00 174.62 176.09 1urt h ASP 101 N 2.51 0.00 1.04 3.53 3.32 -1.93 -3.16 116.42 121.73 1urt h ASP 101 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1urt h ASP 101 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1urt h ASP 101 CO 0.49 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 177.39 1urt n GLU 102 N -2.43 0.12 -3.72 3.56 -0.58 -1.26 -4.01 120.64 112.32 1urt n GLU 102 Ca 0.02 0.18 -0.07 0.00 -0.42 0.00 0.00 57.16 56.87 1urt n GLU 102 Cb 0.25 -1.66 -0.02 0.00 -0.57 0.00 0.00 31.44 29.44 1urt n GLU 102 CO 0.00 0.00 0.00 1.67 -0.48 0.00 0.00 177.13 178.32 1urt s TRP 103 N -3.09 -0.23 0.00 -0.32 -2.14 -1.19 -4.85 118.94 107.12 1urt s TRP 103 Ca 0.10 -0.10 0.00 0.00 2.66 0.00 0.00 56.10 58.76 1urt s TRP 103 Cb 0.14 0.65 0.00 0.00 -3.10 0.00 0.00 33.47 31.15 1urt s TRP 103 CO 0.49 -0.97 0.00 0.41 -2.66 0.00 0.00 176.95 174.22 1urt n GLY 104 N -0.43 0.68 3.78 3.67 0.00 -1.01 -3.25 105.19 108.63 1urt n GLY 104 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 1urt n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1urt s SER 105 N 0.00 4.82 -0.17 1.61 1.04 0.90 -3.20 113.70 118.70 1urt s SER 105 Ca 0.00 1.81 -0.20 0.00 0.48 0.00 0.00 55.95 58.04 1urt s SER 105 Cb 0.00 -2.52 -0.17 0.00 0.10 0.00 0.00 66.02 63.43 1urt s SER 105 CO 0.00 -1.82 0.29 -0.33 0.98 0.00 0.00 173.24 172.36 1urt h GLU 106 N -0.81 0.00 -7.40 4.02 5.08 -1.90 -3.46 114.58 110.12 1urt h GLU 106 Ca -0.44 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.43 1urt h GLU 106 Cb 1.23 0.00 0.07 0.00 0.50 0.00 0.00 28.75 30.55 1urt h GLU 106 CO 0.53 0.77 0.37 -1.01 -1.00 0.00 0.00 179.01 178.67 1urt s HIS 107 N -2.23 3.35 -0.08 4.33 3.76 -1.26 -4.70 115.29 118.46 1urt s HIS 107 Ca -0.22 1.00 -0.04 0.00 -0.15 0.00 0.00 55.06 55.66 1urt s HIS 107 Cb 0.02 -2.96 0.04 0.00 1.11 0.00 0.00 32.58 30.78 1urt s HIS 107 CO 0.51 -1.05 0.18 0.00 -0.85 0.00 0.00 174.74 173.53 1urt s ALA 108 N -3.27 -0.38 -0.50 -1.40 0.00 -1.14 -4.59 121.76 110.48 1urt s ALA 108 Ca 0.57 0.71 -0.18 0.00 0.00 0.00 0.00 51.96 53.06 1urt s ALA 108 Cb -0.11 -0.46 0.07 0.00 0.00 0.00 0.00 23.12 22.62 1urt s ALA 108 CO 0.51 -0.15 0.55 0.54 0.00 0.00 0.00 175.76 177.20 1urt s VAL 109 N 0.93 5.00 -1.17 0.00 0.11 -0.49 0.19 120.40 124.98 1urt s VAL 109 Ca -0.07 -0.72 -0.03 0.00 -2.93 0.00 0.00 61.98 58.23 1urt s VAL 109 Cb -0.09 -4.24 -0.02 0.00 -1.53 0.00 0.00 36.38 30.50 1urt s VAL 109 CO -0.05 -0.74 0.93 0.47 -3.33 0.00 0.00 175.10 172.38 1urt n ASP 110 N 5.82 -3.38 0.00 3.54 8.00 0.74 -2.06 116.55 129.21 1urt n ASP 110 Ca -0.09 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.72 1urt n ASP 110 Cb 0.45 -4.94 0.00 0.00 -0.02 0.00 0.00 41.12 36.60 1urt n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1urt n GLY 111 N -1.24 2.82 3.74 0.44 0.00 -1.26 -5.00 105.19 104.68 1urt n GLY 111 Ca -0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 1urt n GLY 111 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1urt s HIS 112 N -2.21 3.63 0.12 1.61 5.04 -0.87 -5.03 115.29 117.58 1urt s HIS 112 Ca 0.00 1.25 0.09 0.00 -1.54 0.00 0.00 55.06 54.86 1urt s HIS 112 Cb 0.00 -2.73 -0.04 0.00 0.04 0.00 0.00 32.58 29.85 1urt s HIS 112 CO 0.00 0.21 -0.19 0.95 -2.34 0.00 0.00 174.74 173.37 1urt s THR 113 N 0.33 2.80 0.29 0.89 -4.23 -1.26 -1.39 115.64 113.07 1urt s THR 113 Ca 0.35 -1.52 0.07 0.00 -1.18 0.00 0.00 61.69 59.41 1urt s THR 113 Cb -0.18 -2.28 -0.03 0.00 1.34 0.00 0.00 72.50 71.34 1urt s THR 113 CO 0.18 0.10 0.24 -0.31 -0.54 0.00 0.00 174.62 174.29 1urt s TYR 114 N -1.14 3.01 0.54 3.99 2.02 -1.26 -4.80 117.35 119.72 1urt s TYR 114 Ca 0.18 -0.20 0.41 0.00 -0.37 0.00 0.00 57.07 57.09 1urt s TYR 114 Cb -0.11 -1.57 2.25 0.00 -0.40 0.00 0.00 41.96 42.13 1urt s TYR 114 CO 0.10 0.37 2.26 -1.00 -1.57 0.00 0.00 175.55 175.72 1urt h PRO 115 N 1.39 0.00 -2.20 -1.71 0.13 -1.69 0.26 132.00 128.18 1urt h PRO 115 Ca -0.47 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 64.83 1urt h PRO 115 Cb 1.25 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.26 1urt h PRO 115 CO 0.60 0.00 0.53 0.00 -0.23 0.00 0.00 178.00 178.90 1urt s ALA 116 N -4.06 -1.79 -0.05 -0.56 0.00 -1.24 -3.66 121.76 110.40 1urt s ALA 116 Ca -0.05 0.59 -0.04 0.00 0.00 0.00 0.00 51.96 52.46 1urt s ALA 116 Cb 0.12 0.49 0.01 0.00 0.00 0.00 0.00 23.12 23.75 1urt s ALA 116 CO 0.38 -0.88 0.12 -2.00 0.00 0.00 0.00 175.76 173.37 1urt s GLU 117 N -3.11 0.14 -0.15 0.00 2.12 -0.58 -0.61 118.70 116.51 1urt s GLU 117 Ca 0.09 0.19 -0.08 0.00 0.36 0.00 0.00 54.97 55.53 1urt s GLU 117 Cb -0.01 0.04 -0.04 0.00 0.26 0.00 0.00 34.13 34.38 1urt s GLU 117 CO -0.03 -0.03 0.12 -1.17 -0.54 0.00 0.00 175.26 173.60 1urt s LEU 118 N 0.17 4.19 -0.26 2.70 0.20 0.37 -1.15 118.68 124.91 1urt s LEU 118 Ca -0.01 0.31 0.02 0.00 0.69 0.00 0.00 54.13 55.14 1urt s LEU 118 Cb -0.02 -2.05 0.05 0.00 -0.43 0.00 0.00 46.19 43.75 1urt s LEU 118 CO -0.00 0.29 -0.10 -1.00 -0.29 0.00 0.00 176.35 175.25 1urt s HIS 119 N -0.34 3.20 -0.64 5.38 3.76 -0.08 -1.76 115.29 124.82 1urt s HIS 119 Ca 0.11 -2.14 -0.18 0.00 -0.15 0.00 0.00 55.06 52.70 1urt s HIS 119 Cb -0.12 -1.96 0.12 0.00 1.11 0.00 0.00 32.58 31.73 1urt s HIS 119 CO 0.01 -0.85 0.73 -0.51 -0.85 0.00 0.00 174.74 173.27 1urt s LEU 120 N 1.16 5.59 -0.16 0.89 1.43 -0.80 -1.75 118.68 125.04 1urt s LEU 120 Ca -0.06 -1.66 -0.25 0.00 -1.03 0.00 0.00 54.13 51.13 1urt s LEU 120 Cb -0.19 -2.29 -0.02 0.00 0.03 0.00 0.00 46.19 43.72 1urt s LEU 120 CO -0.05 -1.03 0.80 -0.69 0.23 0.00 0.00 176.35 175.61 1urt s VAL 121 N 2.31 4.91 0.09 -1.59 1.01 -0.17 -2.20 120.40 124.76 1urt s VAL 121 Ca 0.13 1.58 0.08 0.00 0.00 0.00 0.00 61.98 63.77 1urt s VAL 121 Cb -0.22 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 1urt s VAL 121 CO 0.03 0.06 -0.22 -1.00 0.00 0.00 0.00 175.10 173.97 1urt s HIS 122 N 1.94 1.88 -0.01 5.22 3.76 -0.51 -2.02 115.29 125.54 1urt s HIS 122 Ca 0.38 -0.40 0.08 0.00 -0.15 0.00 0.00 55.06 54.96 1urt s HIS 122 Cb -0.17 -1.06 -0.02 0.00 1.11 0.00 0.00 32.58 32.45 1urt s HIS 122 CO 0.13 0.18 -0.25 1.67 -0.85 0.00 0.00 174.74 175.63 1urt s TRP 123 N -1.03 2.19 -0.95 1.40 1.48 -0.39 -1.56 118.94 120.09 1urt s TRP 123 Ca 0.08 -0.41 -0.25 0.00 -1.06 0.00 0.00 56.10 54.46 1urt s TRP 123 Cb -0.10 -1.40 -0.10 0.00 -1.16 0.00 0.00 33.47 30.72 1urt s TRP 123 CO 0.04 -0.02 2.09 1.21 -4.06 0.00 0.00 176.95 176.20 1urt s ASN 124 N -0.66 4.58 0.31 -2.66 3.84 0.66 -1.28 114.94 119.73 1urt s ASN 124 Ca 0.10 -0.71 0.24 0.00 0.21 0.00 0.00 52.86 52.70 1urt s ASN 124 Cb -0.09 -2.57 1.11 0.00 -0.55 0.00 0.00 41.25 39.15 1urt s ASN 124 CO -0.01 -3.35 1.73 0.77 -2.79 0.00 0.00 177.10 173.45 1urt h SER 125 N 11.40 0.00 0.34 -4.21 4.64 -1.80 -2.34 113.55 121.58 1urt h SER 125 Ca 0.08 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.12 1urt h SER 125 Cb 0.99 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.10 1urt h SER 125 CO 1.14 0.00 -1.23 0.74 -0.87 0.00 0.00 176.83 176.60 1urt h THR 126 N 0.00 1.37 0.00 2.95 2.02 -1.86 -3.37 112.91 114.01 1urt h THR 126 Ca 0.00 -2.68 -0.29 0.00 0.77 0.00 0.00 66.41 64.20 1urt h THR 126 Cb 0.23 2.78 -0.05 0.00 -1.74 0.00 0.00 68.15 69.37 1urt h THR 126 CO 0.00 0.80 -2.10 0.29 0.37 0.00 0.00 175.52 174.88 1urt n LYS 127 N -3.69 0.67 -4.29 6.66 4.76 -1.14 -4.99 118.16 116.14 1urt n LYS 127 Ca -0.11 0.06 -0.29 0.00 -2.87 0.00 0.00 58.31 55.09 1urt n LYS 127 Cb 0.99 -1.61 -0.11 0.00 -1.84 0.00 0.00 35.03 32.46 1urt n LYS 127 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1urt s TYR 128 N -2.67 2.57 0.22 2.13 2.02 -0.89 -5.04 117.35 115.68 1urt s TYR 128 Ca -0.08 -0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 1urt s TYR 128 Cb 0.08 -1.36 0.19 0.00 -0.40 0.00 0.00 41.96 40.47 1urt s TYR 128 CO 0.84 0.40 1.54 1.49 -1.57 0.00 0.00 175.55 178.25 1urt h GLU 129 N 3.67 0.42 -3.36 -0.62 4.81 -1.87 -3.41 114.58 114.21 1urt h GLU 129 Ca -0.50 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 58.44 1urt h GLU 129 Cb 1.17 0.03 -0.10 0.00 0.63 0.00 0.00 28.75 30.48 1urt h GLU 129 CO 0.47 0.86 -0.00 0.54 -0.73 0.00 0.00 179.01 180.15 1urt s ASN 130 N -6.91 -0.22 0.33 1.04 2.20 -1.26 -5.05 114.94 105.07 1urt s ASN 130 Ca -0.06 -0.55 0.03 0.00 -0.94 0.00 0.00 52.86 51.34 1urt s ASN 130 Cb 0.12 0.57 0.62 0.00 -2.00 0.00 0.00 41.25 40.56 1urt s ASN 130 CO 0.82 -1.06 1.94 0.22 -2.94 0.00 0.00 177.10 176.08 1urt h TYR 131 N 2.22 0.91 -0.30 1.54 3.20 -1.97 -0.38 116.97 122.19 1urt h TYR 131 Ca -0.28 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.56 1urt h TYR 131 Cb 1.26 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 1urt h TYR 131 CO 0.36 0.49 -0.04 0.87 -1.64 0.00 0.00 178.16 178.20 1urt h LYS 132 N 0.91 0.47 0.22 1.82 6.56 -2.00 -1.04 116.57 123.52 1urt h LYS 132 Ca 0.35 -0.11 -0.32 0.00 -1.06 0.00 0.00 60.65 59.51 1urt h LYS 132 Cb 0.20 -0.07 0.03 0.00 -0.57 0.00 0.00 32.23 31.82 1urt h LYS 132 CO -0.12 0.53 -1.48 0.87 -2.06 0.00 0.00 179.45 177.19 1urt h LYS 133 N 0.45 0.47 -0.36 3.15 1.57 -1.75 -3.36 116.57 116.75 1urt h LYS 133 Ca 0.09 -0.80 -0.02 0.00 -1.87 0.00 0.00 60.65 58.05 1urt h LYS 133 Cb 0.36 0.30 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1urt h LYS 133 CO 0.01 1.39 0.14 0.00 -0.57 0.00 0.00 179.45 180.42 1urt h ALA 134 N 0.12 0.47 -0.20 3.86 0.00 -0.97 -2.02 119.26 120.52 1urt h ALA 134 Ca -0.27 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.56 1urt h ALA 134 Cb 2.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 1urt h ALA 134 CO 0.23 0.07 0.50 0.66 0.00 0.00 0.00 179.25 180.71 1urt h SER 135 N 0.43 0.00 -0.01 0.00 4.64 -1.33 0.25 113.55 117.54 1urt h SER 135 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1urt h SER 135 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1urt h SER 135 CO -0.01 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.28 1urt n VAL 136 N -3.14 0.17 -2.09 0.95 0.24 -1.13 -4.71 118.33 108.61 1urt n VAL 136 Ca 0.03 -0.58 -0.27 0.00 -2.04 0.00 0.00 64.34 61.47 1urt n VAL 136 Cb 0.60 0.93 0.07 0.00 -1.47 0.00 0.00 33.84 33.97 1urt n VAL 136 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1urt s GLY 137 N -0.23 1.64 0.23 7.63 0.00 0.88 -4.91 107.32 112.56 1urt s GLY 137 Ca 0.01 -0.73 -0.06 0.00 0.00 0.00 0.00 44.72 43.94 1urt s GLY 137 CO 0.01 -0.32 1.82 -2.09 0.00 0.00 0.00 173.10 172.52 1urt h GLU 138 N -0.70 0.77 -0.47 2.90 4.81 -1.89 -3.15 114.58 116.85 1urt h GLU 138 Ca -0.45 -0.05 -0.32 0.00 -0.13 0.00 0.00 59.36 58.42 1urt h GLU 138 Cb 1.31 -0.17 -0.39 0.00 0.63 0.00 0.00 28.75 30.12 1urt h GLU 138 CO 0.63 0.51 -1.00 0.09 -0.73 0.00 0.00 179.01 178.50 1urt n ASN 139 N -4.74 2.50 0.25 1.04 4.13 -1.26 -4.67 115.26 112.52 1urt n ASN 139 Ca 0.12 -2.60 0.15 0.00 1.68 0.00 0.00 54.58 53.93 1urt n ASN 139 Cb 0.23 -0.43 0.44 0.00 -1.54 0.00 0.00 39.78 38.48 1urt n ASN 139 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1urt h GLY 140 N 2.29 0.00 -2.51 7.41 0.00 -1.57 -3.41 103.07 105.27 1urt h GLY 140 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.97 1urt h GLY 140 CO 0.33 0.00 -0.67 1.08 0.00 0.00 0.00 176.54 177.29 1urt s LEU 141 N -6.19 2.26 -0.18 3.11 1.43 -0.72 -0.25 118.68 118.14 1urt s LEU 141 Ca 0.04 -1.18 -0.05 0.00 -1.03 0.00 0.00 54.13 51.92 1urt s LEU 141 Cb 0.07 -0.29 0.09 0.00 0.03 0.00 0.00 46.19 46.09 1urt s LEU 141 CO 0.60 -0.47 0.31 0.00 0.23 0.00 0.00 176.35 177.02 1urt s ALA 142 N -3.39 -0.74 -0.07 4.21 0.00 -0.60 -2.18 121.76 118.99 1urt s ALA 142 Ca 0.26 0.94 0.05 0.00 0.00 0.00 0.00 51.96 53.20 1urt s ALA 142 Cb 0.05 -1.26 -0.01 0.00 0.00 0.00 0.00 23.12 21.90 1urt s ALA 142 CO 0.07 -0.87 -0.22 0.08 0.00 0.00 0.00 175.76 174.82 1urt s VAL 143 N 2.47 2.36 -0.24 0.00 1.01 -0.89 -1.43 120.40 123.68 1urt s VAL 143 Ca 0.04 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 60.97 1urt s VAL 143 Cb -0.13 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 1urt s VAL 143 CO -0.11 0.57 0.15 -0.63 0.00 0.00 0.00 175.10 175.07 1urt s ILE 144 N -0.12 5.25 -0.16 2.22 1.01 -0.93 -0.17 121.20 128.31 1urt s ILE 144 Ca -0.04 0.14 -0.07 0.00 0.00 0.00 0.00 60.65 60.68 1urt s ILE 144 Cb -0.14 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 1urt s ILE 144 CO 0.04 0.34 0.10 -0.83 0.00 0.00 0.00 174.94 174.59 1urt s GLY 145 N 1.10 2.02 -0.13 6.18 0.00 0.23 -1.91 107.32 114.80 1urt s GLY 145 Ca 0.07 -0.70 -0.00 0.00 0.00 0.00 0.00 44.72 44.09 1urt s GLY 145 CO 0.05 -0.13 -0.09 0.14 0.00 0.00 0.00 173.10 173.06 1urt s VAL 146 N -0.22 1.23 0.43 1.40 1.01 -0.72 -0.76 120.40 122.76 1urt s VAL 146 Ca 0.09 -0.46 -0.22 0.00 0.00 0.00 0.00 61.98 61.39 1urt s VAL 146 Cb -0.12 -1.23 -0.09 0.00 0.00 0.00 0.00 36.38 34.94 1urt s VAL 146 CO 0.01 0.36 1.03 -0.36 0.00 0.00 0.00 175.10 176.14 1urt s PHE 147 N 1.62 3.19 -0.06 5.22 0.08 -1.26 -0.48 117.98 126.30 1urt s PHE 147 Ca 0.04 1.62 0.03 0.00 0.12 0.00 0.00 56.93 58.74 1urt s PHE 147 Cb -0.13 -3.07 -0.03 0.00 -0.57 0.00 0.00 43.02 39.22 1urt s PHE 147 CO -0.09 -0.62 -0.13 -0.51 -0.10 0.00 0.00 175.22 173.77 1urt s LEU 148 N -2.97 2.82 0.02 -0.37 1.02 0.22 -2.25 118.68 117.17 1urt s LEU 148 Ca 0.61 -0.17 0.02 0.00 0.02 0.00 0.00 54.13 54.62 1urt s LEU 148 Cb -0.19 -1.58 -0.02 0.00 0.02 0.00 0.00 46.19 44.42 1urt s LEU 148 CO 0.23 0.34 -0.08 -1.59 0.02 0.00 0.00 176.35 175.27 1urt s LYS 149 N -0.68 0.54 0.40 1.70 -2.85 -0.15 -3.56 119.74 115.14 1urt s LYS 149 Ca 0.10 -0.53 -0.27 0.00 -1.00 0.00 0.00 55.97 54.28 1urt s LYS 149 Cb -0.11 -0.43 -0.10 0.00 -2.06 0.00 0.00 37.83 35.13 1urt s LYS 149 CO 0.01 0.10 1.40 1.28 0.10 0.00 0.00 175.35 178.24 1urt n LEU 150 N 2.13 4.58 0.00 2.77 4.32 -1.26 -1.77 117.00 127.77 1urt n LEU 150 Ca -0.18 1.17 0.00 0.00 -0.02 0.00 0.00 56.01 56.98 1urt n LEU 150 Cb 0.56 -1.57 0.00 0.00 -1.62 0.00 0.00 43.42 40.79 1urt n LEU 150 CO 0.23 -0.18 0.00 0.61 -1.22 0.00 0.00 177.39 176.83 1urt n GLY 151 N 0.60 -0.66 3.77 -0.72 0.00 0.12 -4.71 105.19 103.60 1urt n GLY 151 Ca 0.04 0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1urt n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1urt s ALA 152 N -1.00 3.26 0.48 4.61 0.00 -1.26 -4.10 121.76 123.76 1urt s ALA 152 Ca 0.00 0.86 -0.22 0.00 0.00 0.00 0.00 51.96 52.60 1urt s ALA 152 Cb 0.00 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 1urt s ALA 152 CO 0.00 -0.26 0.85 1.58 0.00 0.00 0.00 175.76 177.93 1urt n HIS 153 N 0.57 0.53 -3.89 0.00 -0.00 -1.26 -2.46 115.22 108.71 1urt n HIS 153 Ca 0.02 0.52 -0.34 0.00 0.46 0.00 0.00 57.72 58.37 1urt n HIS 153 Cb 0.47 -2.13 -0.13 0.00 -0.12 0.00 0.00 29.99 28.08 1urt n HIS 153 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1urt s HIS 154 N -1.43 3.55 0.16 1.57 5.04 -1.26 -4.83 115.29 118.09 1urt s HIS 154 Ca 0.67 -2.46 -0.24 0.00 -1.54 0.00 0.00 55.06 51.49 1urt s HIS 154 Cb -0.51 -2.84 0.05 0.00 0.04 0.00 0.00 32.58 29.31 1urt s HIS 154 CO 0.54 -0.93 1.59 1.96 -2.34 0.00 0.00 174.74 175.57 1urt h GLN 155 N 7.91 -0.26 -0.91 2.88 1.08 -1.94 -2.21 115.11 121.66 1urt h GLN 155 Ca -0.13 0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.17 1urt h GLN 155 Cb 1.04 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 28.47 1urt h GLN 155 CO 0.60 -0.17 0.59 0.00 -0.95 0.00 0.00 178.83 178.90 1urt h ALA 156 N 0.69 1.55 0.00 3.87 0.00 -1.96 -1.20 119.26 122.22 1urt h ALA 156 Ca 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1urt h ALA 156 Cb 0.55 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1urt h ALA 156 CO -0.56 0.29 -0.05 1.25 0.00 0.00 0.00 179.25 180.19 1urt h LEU 157 N 0.98 0.00 -1.37 0.00 5.85 -1.76 -3.06 115.31 115.95 1urt h LEU 157 Ca 0.40 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 59.08 1urt h LEU 157 Cb 0.28 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1urt h LEU 157 CO -0.16 0.05 0.01 -0.61 -0.34 0.00 0.00 178.44 177.38 1urt h GLN 158 N 0.00 0.42 -0.61 1.25 5.75 -0.78 -1.75 115.11 119.39 1urt h GLN 158 Ca -0.00 -0.08 0.06 0.00 -0.15 0.00 0.00 58.65 58.48 1urt h GLN 158 Cb 0.58 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 29.01 1urt h GLN 158 CO 0.01 0.44 0.32 0.87 -2.65 0.00 0.00 178.83 177.82 1urt h LYS 159 N 0.41 0.58 -0.01 1.69 1.57 -1.64 0.12 116.57 119.28 1urt h LYS 159 Ca 0.09 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1urt h LYS 159 Cb 0.26 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1urt h LYS 159 CO 0.01 0.38 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.19 1urt h LEU 160 N 0.59 0.02 -0.95 2.94 3.38 -1.62 -3.15 115.31 116.52 1urt h LEU 160 Ca 0.27 -0.42 0.15 0.00 0.09 0.00 0.00 57.88 57.97 1urt h LEU 160 Cb 0.19 -0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.84 1urt h LEU 160 CO -0.19 0.44 0.55 0.58 0.09 0.00 0.00 178.44 179.92 1urt h VAL 161 N -0.40 0.78 0.00 1.22 2.07 -0.91 -0.54 116.25 118.47 1urt h VAL 161 Ca 0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1urt h VAL 161 Cb 0.43 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1urt h VAL 161 CO 0.00 0.14 0.00 0.47 0.02 0.00 0.00 177.57 178.20 1urt n ASP 162 N -4.76 0.61 -0.24 0.57 8.00 0.37 -2.47 116.55 118.63 1urt n ASP 162 Ca 0.20 0.75 0.05 0.00 0.71 0.00 0.00 54.79 56.50 1urt n ASP 162 Cb 0.45 -0.84 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 1urt n ASP 162 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1urt n VAL 163 N -2.28 0.00 -0.03 2.53 0.24 -0.22 -4.63 118.33 113.94 1urt n VAL 163 Ca -0.01 -0.40 0.08 0.00 -2.04 0.00 0.00 64.34 61.97 1urt n VAL 163 Cb 0.08 1.13 0.47 0.00 -1.47 0.00 0.00 33.84 34.05 1urt n VAL 163 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1urt h LEU 164 N 1.18 0.40 -2.75 1.34 3.38 -1.41 -1.37 115.31 116.06 1urt h LEU 164 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1urt h LEU 164 Cb 0.35 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1urt h LEU 164 CO 0.00 0.26 0.07 -0.65 0.09 0.00 0.00 178.44 178.22 1urt h PRO 165 N 0.45 0.00 0.00 1.13 0.11 -1.82 0.14 132.00 132.02 1urt h PRO 165 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1urt h PRO 165 Cb 0.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.36 1urt h PRO 165 CO -0.05 0.00 -0.23 0.39 -0.21 0.00 0.00 178.00 177.89 1urt n GLU 166 N -3.02 0.06 -2.07 1.05 -0.58 -0.52 -4.24 120.64 111.32 1urt n GLU 166 Ca -0.03 0.03 -0.13 0.00 -0.42 0.00 0.00 57.16 56.62 1urt n GLU 166 Cb 0.14 -1.55 0.05 0.00 -0.57 0.00 0.00 31.44 29.50 1urt n GLU 166 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1urt n VAL 167 N -1.65 2.02 -0.02 2.62 0.24 0.50 -4.68 118.33 117.35 1urt n VAL 167 Ca 0.06 -3.59 -0.10 0.00 -2.04 0.00 0.00 64.34 58.67 1urt n VAL 167 Cb 0.36 -0.25 -0.04 0.00 -1.47 0.00 0.00 33.84 32.44 1urt n VAL 167 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1urt h ARG 168 N 2.12 0.10 -6.59 7.34 3.08 -1.73 -3.41 114.38 115.29 1urt h ARG 168 Ca 0.16 -0.01 -0.52 0.00 0.07 0.00 0.00 59.98 59.69 1urt h ARG 168 Cb 1.43 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.42 1urt h ARG 168 CO 0.49 0.07 0.11 -1.01 -1.07 0.00 0.00 179.97 178.55 1urt s HIS 169 N -6.19 3.62 0.67 3.04 3.76 -1.26 -0.30 115.29 118.64 1urt s HIS 169 Ca -0.13 1.37 -0.17 0.00 -0.15 0.00 0.00 55.06 55.98 1urt s HIS 169 Cb 0.08 -2.61 -0.02 0.00 1.11 0.00 0.00 32.58 31.14 1urt s HIS 169 CO 0.68 0.31 0.96 0.36 -0.85 0.00 0.00 174.74 176.21 1urt n LYS 170 N 0.62 0.69 -0.11 1.40 2.85 -1.01 -2.70 118.16 119.91 1urt n LYS 170 Ca -0.02 0.29 0.00 0.00 -1.05 0.00 0.00 58.31 57.53 1urt n LYS 170 Cb 0.51 -2.20 0.00 0.00 -0.65 0.00 0.00 35.03 32.69 1urt n LYS 170 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1urt n ASP 171 N -1.25 0.00 -4.78 -5.58 8.00 0.22 -4.72 116.55 108.44 1urt n ASP 171 Ca 0.14 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.27 1urt n ASP 171 Cb 0.49 -0.42 -0.06 0.00 -0.02 0.00 0.00 41.12 41.10 1urt n ASP 171 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1urt s THR 172 N -2.57 4.14 0.27 -3.53 2.01 -1.10 -4.85 115.64 110.01 1urt s THR 172 Ca 0.00 1.73 -0.03 0.00 0.31 0.00 0.00 61.69 63.70 1urt s THR 172 Cb 0.00 -3.94 -0.02 0.00 0.01 0.00 0.00 72.50 68.55 1urt s THR 172 CO 0.00 0.10 0.32 0.00 -0.69 0.00 0.00 174.62 174.35 1urt s GLN 173 N -2.17 1.55 0.00 4.92 0.00 -1.26 -1.33 119.66 121.37 1urt s GLN 173 Ca 0.52 -1.64 -0.13 0.00 -0.00 0.00 0.00 55.36 54.11 1urt s GLN 173 Cb -0.19 0.37 0.02 0.00 0.00 0.00 0.00 33.01 33.21 1urt s GLN 173 CO 0.24 -0.59 0.27 0.14 0.00 0.00 0.00 175.29 175.34 1urt s VAL 174 N -3.73 0.07 0.54 3.63 -7.23 -0.76 -4.92 120.40 108.01 1urt s VAL 174 Ca 0.33 -0.58 -0.18 0.00 -1.81 0.00 0.00 61.98 59.74 1urt s VAL 174 Cb 0.03 -0.66 -0.06 0.00 0.56 0.00 0.00 36.38 36.24 1urt s VAL 174 CO 0.16 -0.32 1.05 0.00 -0.31 0.00 0.00 175.10 175.68 1urt s ALA 175 N -1.64 2.81 0.00 1.32 0.00 -1.26 -1.52 121.76 121.46 1urt s ALA 175 Ca -0.12 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1urt s ALA 175 Cb -0.05 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1urt s ALA 175 CO 0.02 -0.57 0.00 -1.33 0.00 0.00 0.00 175.76 173.88 1urt n MET 176 N -1.53 3.98 0.00 0.00 2.81 0.75 -4.75 117.12 118.38 1urt n MET 176 Ca 0.09 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 1urt n MET 176 Cb 0.53 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.04 1urt n MET 176 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1urt n GLY 177 N 5.00 2.43 2.68 3.03 0.00 -1.26 -4.90 105.19 112.18 1urt n GLY 177 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1urt n GLY 177 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1urt n ASP 178 N 0.00 -6.44 -3.72 1.61 5.68 -1.20 -5.00 116.55 107.49 1urt n ASP 178 Ca 0.00 0.74 -0.14 0.00 -0.50 0.00 0.00 54.79 54.89 1urt n ASP 178 Cb 0.00 -1.33 -0.14 0.00 -1.14 0.00 0.00 41.12 38.51 1urt n ASP 178 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1urt s PHE 179 N -0.15 -0.23 -0.40 2.11 5.36 -0.62 -4.93 117.98 119.11 1urt s PHE 179 Ca 0.00 0.63 -0.15 0.00 -0.96 0.00 0.00 56.93 56.45 1urt s PHE 179 Cb 0.00 -0.09 0.02 0.00 -0.34 0.00 0.00 43.02 42.60 1urt s PHE 179 CO 0.00 -0.23 0.30 0.34 -1.46 0.00 0.00 175.22 174.18 1urt s ASP 180 N 1.58 6.11 0.41 6.13 -1.08 -1.26 -4.34 116.67 124.23 1urt s ASP 180 Ca -0.05 -0.82 0.11 0.00 -0.52 0.00 0.00 52.55 51.27 1urt s ASP 180 Cb -0.11 -2.16 0.95 0.00 -1.46 0.00 0.00 42.92 40.13 1urt s ASP 180 CO -0.07 -0.43 1.97 -0.65 0.52 0.00 0.00 175.17 176.51 1urt h PRO 181 N 8.62 0.49 -0.91 4.34 0.11 -1.96 -1.73 132.00 140.96 1urt h PRO 181 Ca -0.27 -0.03 0.27 0.00 0.11 0.00 0.00 66.00 66.07 1urt h PRO 181 Cb 1.12 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.09 1urt h PRO 181 CO 0.72 0.33 0.82 0.77 -0.21 0.00 0.00 178.00 180.43 1urt h SER 182 N 0.51 0.00 0.28 -2.05 0.02 -1.96 0.32 113.55 110.67 1urt h SER 182 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1urt h SER 182 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1urt h SER 182 CO -0.09 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.60 1urt n LEU 184 N -1.61 3.06 -4.92 0.00 4.77 0.11 -4.84 117.00 113.57 1urt n LEU 184 Ca 0.02 -1.21 -0.31 0.00 -0.03 0.00 0.00 56.01 54.48 1urt n LEU 184 Cb 0.10 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1urt n LEU 184 CO 0.08 0.58 -0.15 -0.04 -1.33 0.00 0.00 177.39 176.53 1urt s MET 185 N -1.67 3.43 0.81 3.23 -1.94 -0.62 -4.92 119.30 117.62 1urt s MET 185 Ca 0.30 -0.45 -0.11 0.00 -1.71 0.00 0.00 55.69 53.73 1urt s MET 185 Cb 0.20 -3.03 0.08 0.00 2.01 0.00 0.00 34.83 34.08 1urt s MET 185 CO 0.28 0.61 1.09 -1.25 -0.01 0.00 0.00 175.02 175.74 1urt s PRO 186 N -2.50 1.96 -0.01 2.03 0.04 -1.26 -4.97 135.00 130.28 1urt s PRO 186 Ca 0.35 0.98 -0.26 0.00 0.04 0.00 0.00 61.00 62.12 1urt s PRO 186 Cb -0.13 -1.88 -0.20 0.00 0.04 0.00 0.00 34.50 32.34 1urt s PRO 186 CO 0.28 -1.80 1.31 0.00 0.04 0.00 0.00 177.00 176.82 1urt h ALA 187 N -1.23 0.01 -2.43 8.56 0.00 -1.95 -3.41 119.26 118.79 1urt h ALA 187 Ca -0.46 -0.23 -0.54 0.00 0.00 0.00 0.00 54.91 53.69 1urt h ALA 187 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1urt h ALA 187 CO 0.54 -0.27 0.75 0.00 0.00 0.00 0.00 179.25 180.27 1urt n ARG 189 N 4.75 2.30 -2.41 0.00 5.12 -1.26 -4.70 116.66 120.47 1urt n ARG 189 Ca 0.12 -3.21 -0.41 0.00 -1.93 0.00 0.00 57.85 52.41 1urt n ARG 189 Cb 0.44 -2.09 -0.04 0.00 -1.16 0.00 0.00 32.46 29.61 1urt n ARG 189 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1urt s ASP 190 N -1.98 7.14 0.24 0.55 1.01 -1.26 -4.96 116.67 117.40 1urt s ASP 190 Ca 0.54 2.22 0.01 0.00 0.71 0.00 0.00 52.55 56.03 1urt s ASP 190 Cb 0.46 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.74 1urt s ASP 190 CO 0.04 -0.32 0.15 -0.72 0.21 0.00 0.00 175.17 174.53 1urt s TYR 191 N -0.27 1.35 0.02 4.23 1.13 -1.26 -1.34 117.35 121.21 1urt s TYR 191 Ca 0.51 -1.38 0.07 0.00 -1.41 0.00 0.00 57.07 54.86 1urt s TYR 191 Cb -0.32 -0.67 -0.03 0.00 -1.10 0.00 0.00 41.96 39.84 1urt s TYR 191 CO 0.37 -0.60 -0.19 -1.58 -2.51 0.00 0.00 175.55 171.04 1urt s TRP 192 N -3.94 2.53 0.01 -3.49 0.51 0.31 -1.70 118.94 113.18 1urt s TRP 192 Ca 0.39 -0.28 0.01 0.00 -2.12 0.00 0.00 56.10 54.10 1urt s TRP 192 Cb 0.06 -1.49 -0.01 0.00 -0.81 0.00 0.00 33.47 31.22 1urt s TRP 192 CO 0.15 0.19 -0.04 -0.08 -0.51 0.00 0.00 176.95 176.65 1urt s THR 193 N -0.83 0.30 0.07 2.01 -1.32 -0.45 -1.33 115.64 114.08 1urt s THR 193 Ca 0.13 -0.56 -0.27 0.00 -1.21 0.00 0.00 61.69 59.78 1urt s THR 193 Cb -0.10 -0.33 0.09 0.00 -1.51 0.00 0.00 72.50 70.64 1urt s THR 193 CO 0.03 -0.17 0.87 -0.72 -2.21 0.00 0.00 174.62 172.42 1urt s TYR 194 N -0.72 -0.30 -0.04 9.09 1.13 -1.09 -1.62 117.35 123.79 1urt s TYR 194 Ca -0.05 0.10 -0.26 0.00 -1.41 0.00 0.00 57.07 55.44 1urt s TYR 194 Cb -0.05 0.57 -0.03 0.00 -1.10 0.00 0.00 41.96 41.35 1urt s TYR 194 CO -0.00 -0.68 0.83 -2.14 -2.51 0.00 0.00 175.55 171.05 1urt s PRO 195 N -3.26 4.48 0.00 -3.49 0.02 -1.26 -0.79 135.00 130.70 1urt s PRO 195 Ca 0.07 1.12 0.00 0.00 0.02 0.00 0.00 61.00 62.21 1urt s PRO 195 Cb -0.01 -3.46 0.00 0.00 0.02 0.00 0.00 34.50 31.05 1urt s PRO 195 CO -0.06 -0.01 0.00 0.41 -0.33 0.00 0.00 177.00 177.01 1urt n GLY 196 N 3.03 5.30 3.33 0.52 0.00 0.29 -4.72 105.19 112.93 1urt n GLY 196 Ca 0.02 -1.29 -0.17 0.00 0.00 0.00 0.00 46.02 44.58 1urt n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1urt s SER 197 N 1.00 1.29 0.57 1.61 1.04 -1.22 -3.12 113.70 114.88 1urt s SER 197 Ca 0.00 -1.64 -0.17 0.00 0.48 0.00 0.00 55.95 54.62 1urt s SER 197 Cb 0.00 0.56 -0.05 0.00 0.10 0.00 0.00 66.02 66.63 1urt s SER 197 CO 0.00 -1.09 1.06 -0.76 0.98 0.00 0.00 173.24 173.42 1urt s LEU 198 N -3.31 3.58 -0.40 2.42 1.43 -0.01 -4.37 118.68 118.02 1urt s LEU 198 Ca 0.38 1.85 0.05 0.00 -1.03 0.00 0.00 54.13 55.38 1urt s LEU 198 Cb 0.02 -4.54 0.53 0.00 0.03 0.00 0.00 46.19 42.23 1urt s LEU 198 CO 0.24 -1.09 1.65 0.35 0.23 0.00 0.00 176.35 177.73 1urt n THR 199 N -1.79 2.91 -3.58 5.49 -2.24 -1.26 -4.55 114.28 109.25 1urt n THR 199 Ca 0.09 -2.78 -0.16 0.00 -2.27 0.00 0.00 64.05 58.93 1urt n THR 199 Cb 0.53 -0.61 -0.06 0.00 -2.10 0.00 0.00 70.33 68.08 1urt n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1urt s THR 200 N -3.72 0.02 0.57 4.28 -4.23 -1.26 -4.76 115.64 106.53 1urt s THR 200 Ca 0.52 -0.15 -0.19 0.00 -1.18 0.00 0.00 61.69 60.69 1urt s THR 200 Cb 0.44 -0.90 -0.07 0.00 1.34 0.00 0.00 72.50 73.31 1urt s THR 200 CO 0.03 -0.08 0.77 -2.65 -0.54 0.00 0.00 174.62 172.14 1urt n PRO 201 N 0.90 0.76 0.00 3.99 -0.02 -1.26 -1.04 135.00 138.33 1urt n PRO 201 Ca -0.19 0.29 0.07 0.00 -2.02 0.00 0.00 63.50 61.65 1urt n PRO 201 Cb 0.57 -1.93 0.42 0.00 -0.02 0.00 0.00 33.50 32.54 1urt n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1urt n PRO 202 N -0.45 0.37 -2.27 0.52 -0.04 -1.26 -4.93 135.00 126.94 1urt n PRO 202 Ca 0.12 0.06 -0.12 0.00 -0.04 0.00 0.00 63.50 63.52 1urt n PRO 202 Cb 0.46 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.42 1urt n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1urt n LEU 203 N -1.11 -1.61 -4.75 1.53 4.77 -0.21 -4.98 117.00 110.65 1urt n LEU 203 Ca 0.10 -0.03 -0.38 0.00 -0.03 0.00 0.00 56.01 55.67 1urt n LEU 203 Cb 0.08 -1.91 0.04 0.00 -2.33 0.00 0.00 43.42 39.29 1urt n LEU 203 CO 0.10 -0.10 0.95 0.00 -1.33 0.00 0.00 177.39 177.00 1urt s ALA 204 N -2.63 2.79 -1.18 -1.18 0.00 -1.26 -4.43 121.76 113.87 1urt s ALA 204 Ca 0.02 1.25 -0.06 0.00 0.00 0.00 0.00 51.96 53.17 1urt s ALA 204 Cb -0.01 -3.54 0.24 0.00 0.00 0.00 0.00 23.12 19.81 1urt s ALA 204 CO 0.02 -1.28 1.76 0.39 0.00 0.00 0.00 175.76 176.65 1urt n GLU 205 N -1.06 4.24 -0.00 0.00 1.02 -1.26 -0.83 120.64 122.76 1urt n GLU 205 Ca 0.11 -4.05 0.00 0.00 -0.02 0.00 0.00 57.16 53.19 1urt n GLU 205 Cb 0.46 -2.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.20 1urt n GLU 205 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1urt n SER 206 N 2.24 1.92 -4.47 1.62 3.41 -1.23 -4.86 113.62 112.25 1urt n SER 206 Ca 0.37 -1.91 -0.36 0.00 -0.26 0.00 0.00 58.87 56.70 1urt n SER 206 Cb 0.33 -0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.16 1urt n SER 206 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1urt s VAL 207 N -0.91 4.31 -0.36 -3.33 1.01 -1.18 -1.76 120.40 118.18 1urt s VAL 207 Ca 0.00 -0.18 -0.21 0.00 0.00 0.00 0.00 61.98 61.59 1urt s VAL 207 Cb 0.00 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.39 1urt s VAL 207 CO 0.00 0.37 0.69 -0.89 0.00 0.00 0.00 175.10 175.27 1urt s THR 208 N 1.33 4.83 -0.06 3.92 2.01 -0.92 -0.55 115.64 126.19 1urt s THR 208 Ca 0.05 0.68 -0.22 0.00 0.31 0.00 0.00 61.69 62.51 1urt s THR 208 Cb -0.15 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 1urt s THR 208 CO 0.03 -0.36 0.65 0.26 -0.69 0.00 0.00 174.62 174.51 1urt s TRP 209 N 2.85 3.59 -0.49 4.92 0.52 0.03 -2.10 118.94 128.25 1urt s TRP 209 Ca 0.27 1.19 0.03 0.00 0.02 0.00 0.00 56.10 57.60 1urt s TRP 209 Cb -0.14 -2.73 0.13 0.00 -1.15 0.00 0.00 33.47 29.57 1urt s TRP 209 CO 0.16 0.14 0.24 0.42 0.02 0.00 0.00 176.95 177.93 1urt s ILE 210 N 0.61 2.70 -0.14 2.03 1.01 0.77 -2.68 121.20 125.50 1urt s ILE 210 Ca 0.35 -3.01 -0.17 0.00 0.00 0.00 0.00 60.65 57.81 1urt s ILE 210 Cb -0.17 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 1urt s ILE 210 CO 0.17 -0.76 0.45 -0.69 0.00 0.00 0.00 174.94 174.10 1urt s VAL 211 N 0.05 5.20 -0.05 2.92 1.01 -0.44 -0.60 120.40 128.49 1urt s VAL 211 Ca 0.15 0.88 -0.23 0.00 0.00 0.00 0.00 61.98 62.78 1urt s VAL 211 Cb -0.24 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1urt s VAL 211 CO -0.02 0.32 0.70 -1.10 0.00 0.00 0.00 175.10 175.00 1urt s GLN 212 N 0.74 4.44 0.25 2.72 -1.52 0.06 -0.53 119.66 125.83 1urt s GLN 212 Ca 0.24 0.90 0.01 0.00 -1.95 0.00 0.00 55.36 54.55 1urt s GLN 212 Cb -0.15 -3.43 0.32 0.00 -0.22 0.00 0.00 33.01 29.53 1urt s GLN 212 CO 0.09 0.10 1.66 -0.22 -0.25 0.00 0.00 175.29 176.68 1urt h LYS 213 N 6.59 0.52 -5.32 2.91 3.64 -1.55 -3.42 116.57 119.94 1urt h LYS 213 Ca -0.42 -0.22 -0.63 0.00 -1.27 0.00 0.00 60.65 58.11 1urt h LYS 213 Cb 1.20 -0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 32.86 1urt h LYS 213 CO 0.75 0.77 -0.01 0.99 -2.27 0.00 0.00 179.45 179.68 1urt s THR 214 N -4.39 5.02 0.72 1.00 2.01 -1.26 -5.02 115.64 113.72 1urt s THR 214 Ca -0.07 0.60 -0.11 0.00 0.31 0.00 0.00 61.69 62.42 1urt s THR 214 Cb 0.13 -3.92 0.03 0.00 0.01 0.00 0.00 72.50 68.74 1urt s THR 214 CO 0.80 -0.11 1.08 -2.16 -0.69 0.00 0.00 174.62 173.55 1urt s PRO 215 N 2.41 2.64 -0.10 4.92 0.04 -1.26 -4.63 135.00 139.02 1urt s PRO 215 Ca 0.21 1.10 -0.01 0.00 0.04 0.00 0.00 61.00 62.33 1urt s PRO 215 Cb -0.15 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1urt s PRO 215 CO 0.12 -1.34 -0.04 0.08 0.04 0.00 0.00 177.00 175.86 1urt s VAL 216 N -2.90 3.96 0.28 -0.36 1.01 -0.96 -4.91 120.40 116.53 1urt s VAL 216 Ca 0.60 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 62.05 1urt s VAL 216 Cb -0.16 -2.66 -0.09 0.00 0.00 0.00 0.00 36.38 33.47 1urt s VAL 216 CO 0.53 0.57 0.72 -1.61 0.00 0.00 0.00 175.10 175.32 1urt s GLU 217 N -0.53 4.08 0.15 2.72 2.02 -1.26 -0.98 118.70 124.90 1urt s GLU 217 Ca 0.08 0.73 -0.09 0.00 0.02 0.00 0.00 54.97 55.71 1urt s GLU 217 Cb -0.12 -2.60 -0.01 0.00 0.10 0.00 0.00 34.13 31.51 1urt s GLU 217 CO 0.02 0.25 0.28 0.14 0.02 0.00 0.00 175.26 175.96 1urt s VAL 218 N -1.81 0.08 0.06 2.63 -7.23 -0.73 -4.41 120.40 108.99 1urt s VAL 218 Ca 0.50 -1.32 -0.00 0.00 -1.81 0.00 0.00 61.98 59.35 1urt s VAL 218 Cb -0.12 -1.74 -0.04 0.00 0.56 0.00 0.00 36.38 35.04 1urt s VAL 218 CO 0.19 -0.35 0.21 -0.94 -0.31 0.00 0.00 175.10 173.90 1urt s SER 219 N -2.94 6.36 0.24 4.85 1.04 -1.24 0.14 113.70 122.15 1urt s SER 219 Ca 0.15 0.28 -0.12 0.00 0.48 0.00 0.00 55.95 56.73 1urt s SER 219 Cb 0.03 -1.96 0.32 0.00 0.10 0.00 0.00 66.02 64.51 1urt s SER 219 CO -0.02 0.17 1.59 -0.65 0.98 0.00 0.00 173.24 175.31 1urt h PRO 220 N 3.10 -0.02 -0.60 4.02 0.11 -1.96 0.28 132.00 136.93 1urt h PRO 220 Ca -0.45 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.78 1urt h PRO 220 Cb 1.16 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1urt h PRO 220 CO 0.76 -0.01 0.41 0.66 -0.21 0.00 0.00 178.00 179.60 1urt h SER 221 N -0.02 0.28 -0.27 -2.05 4.64 -1.99 0.47 113.55 114.61 1urt h SER 221 Ca 0.38 0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.56 1urt h SER 221 Cb 0.60 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1urt h SER 221 CO -0.85 0.16 -0.41 1.56 -0.87 0.00 0.00 176.83 176.42 1urt h GLN 222 N 0.30 0.76 -0.27 4.77 4.20 -0.85 -3.07 115.11 120.96 1urt h GLN 222 Ca 0.28 -0.45 -0.13 0.00 0.06 0.00 0.00 58.65 58.41 1urt h GLN 222 Cb 0.70 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 1urt h GLN 222 CO -0.07 1.08 -0.36 1.25 -0.67 0.00 0.00 178.83 180.06 1urt h LEU 223 N 0.50 0.64 -1.10 1.46 7.12 -0.23 -3.04 115.31 120.67 1urt h LEU 223 Ca 0.03 -0.27 -0.01 0.00 0.13 0.00 0.00 57.88 57.76 1urt h LEU 223 Cb 1.01 -0.18 -0.04 0.00 -0.53 0.00 0.00 40.66 40.92 1urt h LEU 223 CO 0.10 0.94 0.47 0.28 -0.13 0.00 0.00 178.44 180.09 1urt h SER 224 N 0.51 0.97 -0.92 1.25 0.02 -0.17 -2.04 113.55 113.17 1urt h SER 224 Ca 0.05 -0.06 0.08 0.00 -0.84 0.00 0.00 61.79 61.02 1urt h SER 224 Cb 0.86 -0.24 -0.07 0.00 0.14 0.00 0.00 62.40 63.08 1urt h SER 224 CO 0.07 0.75 0.58 -0.03 -1.14 0.00 0.00 176.83 177.06 1urt h MET 225 N 1.11 0.98 -0.52 3.45 1.85 -1.43 -1.56 114.93 118.81 1urt h MET 225 Ca 0.29 -0.06 0.10 0.00 -0.61 0.00 0.00 59.70 59.42 1urt h MET 225 Cb -0.02 -0.22 -0.09 0.00 0.43 0.00 0.00 31.60 31.70 1urt h MET 225 CO -0.05 0.65 -0.02 0.74 -0.40 0.00 0.00 176.91 177.83 1urt h PHE 226 N 1.01 -0.07 0.00 1.39 -1.00 -1.42 -1.81 116.94 115.03 1urt h PHE 226 Ca 0.42 0.04 0.00 0.00 2.81 0.00 0.00 57.97 61.24 1urt h PHE 226 Cb 0.26 0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.94 1urt h PHE 226 CO -0.02 -0.14 0.00 0.54 -1.61 0.00 0.00 178.31 177.08 1urt n ARG 227 N -5.26 0.34 0.00 1.51 1.74 -0.59 -1.92 116.66 112.48 1urt n ARG 227 Ca 0.06 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.19 1urt n ARG 227 Cb 0.28 -1.07 0.03 0.00 -1.02 0.00 0.00 32.46 30.68 1urt n ARG 227 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1urt n THR 228 N -0.17 0.00 -1.51 0.55 -2.24 -0.68 -4.68 114.28 105.55 1urt n THR 228 Ca 0.00 -0.46 -0.30 0.00 -2.27 0.00 0.00 64.05 61.02 1urt n THR 228 Cb 0.03 1.17 0.10 0.00 -2.10 0.00 0.00 70.33 69.53 1urt n THR 228 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1urt s LEU 229 N -1.13 2.57 0.08 3.22 1.43 -0.81 -4.84 118.68 119.20 1urt s LEU 229 Ca 0.10 1.34 0.07 0.00 -1.03 0.00 0.00 54.13 54.61 1urt s LEU 229 Cb 0.08 -3.93 -0.03 0.00 0.03 0.00 0.00 46.19 42.34 1urt s LEU 229 CO 0.17 -2.05 -0.18 -0.76 0.23 0.00 0.00 176.35 173.76 1urt s LEU 230 N -5.83 2.27 0.18 1.79 1.02 0.59 -1.21 118.68 117.50 1urt s LEU 230 Ca 0.61 -0.63 0.10 0.00 0.02 0.00 0.00 54.13 54.23 1urt s LEU 230 Cb -0.15 -0.75 -0.11 0.00 0.02 0.00 0.00 46.19 45.20 1urt s LEU 230 CO 0.55 0.02 1.34 -0.26 0.02 0.00 0.00 176.35 178.01 1urt h PHE 231 N 4.28 0.00 -3.47 0.29 0.04 -0.60 -3.34 116.94 114.14 1urt h PHE 231 Ca -0.43 0.00 -0.49 0.00 2.80 0.00 0.00 57.97 59.85 1urt h PHE 231 Cb 1.18 0.00 0.03 0.00 2.20 0.00 0.00 35.95 39.36 1urt h PHE 231 CO 0.60 0.83 0.07 -1.54 -0.60 0.00 0.00 178.31 177.67 1urt s SER 232 N -6.62 6.26 0.86 2.17 1.04 -1.23 -4.68 113.70 111.50 1urt s SER 232 Ca 0.02 0.86 -0.08 0.00 0.48 0.00 0.00 55.95 57.23 1urt s SER 232 Cb 0.09 -2.21 0.18 0.00 0.10 0.00 0.00 66.02 64.17 1urt s SER 232 CO 0.79 -0.55 1.11 0.61 0.98 0.00 0.00 173.24 176.19 1urt n GLY 233 N -2.20 -0.44 3.77 7.32 0.00 -1.26 -2.40 105.19 109.97 1urt n GLY 233 Ca -0.00 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 1urt n GLY 233 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1urt s ARG 234 N -5.37 4.20 -1.16 1.61 0.52 -1.26 -3.33 118.95 114.17 1urt s ARG 234 Ca 0.67 2.44 -0.03 0.00 -0.52 0.00 0.00 55.73 58.29 1urt s ARG 234 Cb -0.03 -3.02 -0.03 0.00 0.52 0.00 0.00 34.95 32.40 1urt s ARG 234 CO 0.46 -0.43 0.92 0.41 0.02 0.00 0.00 175.30 176.68 1urt n GLY 235 N 0.88 -0.68 3.39 -3.53 0.00 -1.26 -5.02 105.19 98.97 1urt n GLY 235 Ca 0.02 0.30 -0.14 0.00 0.00 0.00 0.00 46.02 46.20 1urt n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1urt s GLU 236 N -5.13 1.62 0.12 1.61 2.02 -1.21 -5.11 118.70 112.61 1urt s GLU 236 Ca 0.20 -1.68 -0.31 0.00 0.02 0.00 0.00 54.97 53.20 1urt s GLU 236 Cb -0.03 0.38 -0.09 0.00 0.10 0.00 0.00 34.13 34.48 1urt s GLU 236 CO 0.75 -0.62 1.64 -1.83 0.02 0.00 0.00 175.26 175.22 1urt s GLU 237 N -3.62 4.20 -0.39 1.61 4.04 -1.26 -4.86 118.70 118.42 1urt s GLU 237 Ca 0.33 2.38 -0.27 0.00 0.04 0.00 0.00 54.97 57.45 1urt s GLU 237 Cb 0.02 -3.41 -0.05 0.00 0.02 0.00 0.00 34.13 30.71 1urt s GLU 237 CO 0.17 -0.70 2.23 -2.00 -1.84 0.00 0.00 175.26 173.13 1urt s GLU 238 N 2.03 2.62 -0.55 -4.83 2.12 -1.26 -4.68 118.70 114.14 1urt s GLU 238 Ca 0.73 1.54 -0.01 0.00 0.36 0.00 0.00 54.97 57.60 1urt s GLU 238 Cb -0.42 -4.46 0.14 0.00 0.26 0.00 0.00 34.13 29.65 1urt s GLU 238 CO 0.32 -2.69 0.34 0.34 -0.54 0.00 0.00 175.26 173.03 1urt s ASP 239 N 9.88 4.98 0.34 -1.70 2.15 -1.26 -5.04 116.67 126.03 1urt s ASP 239 Ca 0.94 -2.75 -0.27 0.00 0.43 0.00 0.00 52.55 50.90 1urt s ASP 239 Cb -0.23 -1.78 -0.13 0.00 -0.30 0.00 0.00 42.92 40.48 1urt s ASP 239 CO 0.29 -0.36 1.05 0.52 -0.17 0.00 0.00 175.17 176.50 1urt n VAL 240 N 3.58 2.12 -2.97 1.11 0.31 -1.26 0.07 118.33 121.27 1urt n VAL 240 Ca 0.06 -0.50 -0.44 0.00 -0.01 0.00 0.00 64.34 63.44 1urt n VAL 240 Cb 0.37 -1.14 -0.01 0.00 -0.91 0.00 0.00 33.84 32.15 1urt n VAL 240 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1urt s MET 241 N -1.75 3.81 0.16 5.55 1.75 -0.35 -4.52 119.30 123.95 1urt s MET 241 Ca 0.59 -2.17 0.03 0.00 -1.25 0.00 0.00 55.69 52.89 1urt s MET 241 Cb -0.63 -4.93 -0.05 0.00 2.84 0.00 0.00 34.83 32.06 1urt s MET 241 CO 0.59 -1.72 -0.03 0.14 -0.65 0.00 0.00 175.02 173.35 1urt s VAL 242 N 1.96 0.83 -1.48 10.11 -7.23 -1.26 -4.60 120.40 118.72 1urt s VAL 242 Ca 0.36 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.45 1urt s VAL 242 Cb -0.05 -2.01 0.06 0.00 0.56 0.00 0.00 36.38 34.94 1urt s VAL 242 CO -0.06 -0.58 0.76 0.59 -0.31 0.00 0.00 175.10 175.50 1urt n ASN 243 N -0.22 -2.69 -2.11 4.85 3.02 -0.65 -4.86 115.26 112.59 1urt n ASN 243 Ca -0.08 -0.88 -0.21 0.00 -0.03 0.00 0.00 54.58 53.39 1urt n ASN 243 Cb 0.62 -3.57 0.01 0.00 -0.61 0.00 0.00 39.78 36.23 1urt n ASN 243 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1urt n ASN 244 N -2.89 6.53 -4.58 6.41 6.94 -0.91 -4.91 115.26 121.84 1urt n ASN 244 Ca -0.11 -3.15 -0.24 0.00 -0.02 0.00 0.00 54.58 51.06 1urt n ASN 244 Cb 0.59 -1.11 -0.09 0.00 -2.36 0.00 0.00 39.78 36.81 1urt n ASN 244 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 1urt s TYR 245 N -1.87 2.51 -0.02 -2.53 -0.85 -1.26 -4.67 117.35 108.66 1urt s TYR 245 Ca 0.42 -0.32 0.00 0.00 -0.52 0.00 0.00 57.07 56.65 1urt s TYR 245 Cb 0.30 -1.20 -0.04 0.00 0.38 0.00 0.00 41.96 41.40 1urt s TYR 245 CO -0.07 0.62 0.04 0.50 -1.52 0.00 0.00 175.55 175.12 1urt s ARG 246 N -3.63 2.95 0.66 -3.49 3.52 -1.26 -5.08 118.95 112.62 1urt s ARG 246 Ca 0.32 -0.52 -0.18 0.00 -0.13 0.00 0.00 55.73 55.22 1urt s ARG 246 Cb -0.04 -2.78 -0.00 0.00 -1.56 0.00 0.00 34.95 30.56 1urt s ARG 246 CO 0.18 0.65 1.28 -2.14 -0.81 0.00 0.00 175.30 174.46 1urt s PRO 247 N -1.55 2.50 0.51 5.12 0.02 -1.26 -4.70 135.00 135.64 1urt s PRO 247 Ca 0.20 2.01 -0.23 0.00 0.02 0.00 0.00 61.00 63.01 1urt s PRO 247 Cb -0.12 -1.85 -0.07 0.00 0.02 0.00 0.00 34.50 32.49 1urt s PRO 247 CO 0.11 -1.62 1.26 1.28 -0.33 0.00 0.00 177.00 177.70 1urt n LEU 248 N -2.01 4.66 -4.38 -5.54 4.32 -1.26 -4.35 117.00 108.44 1urt n LEU 248 Ca 0.15 1.00 -0.27 0.00 -0.02 0.00 0.00 56.01 56.88 1urt n LEU 248 Cb 0.48 -1.52 -0.12 0.00 -1.62 0.00 0.00 43.42 40.65 1urt n LEU 248 CO 0.47 -0.81 -0.54 -1.10 -1.22 0.00 0.00 177.39 174.19 1urt s GLN 249 N -2.60 1.40 0.51 3.23 -1.52 0.21 -4.96 119.66 115.93 1urt s GLN 249 Ca 0.68 -1.41 -0.22 0.00 -1.95 0.00 0.00 55.36 52.47 1urt s GLN 249 Cb -0.45 -1.75 -0.06 0.00 -0.22 0.00 0.00 33.01 30.53 1urt s GLN 249 CO 0.52 0.39 1.22 -2.14 -0.25 0.00 0.00 175.29 175.04 1urt s PRO 250 N -2.38 3.41 0.29 2.91 0.02 -1.26 -4.34 135.00 133.64 1urt s PRO 250 Ca 0.16 1.90 0.03 0.00 0.02 0.00 0.00 61.00 63.11 1urt s PRO 250 Cb -0.09 -2.24 0.43 0.00 0.02 0.00 0.00 34.50 32.62 1urt s PRO 250 CO 0.07 -0.87 1.72 1.25 -0.33 0.00 0.00 177.00 178.85 1urt h LEU 251 N 1.60 0.45 0.00 -5.54 6.46 -1.93 -3.45 115.31 112.90 1urt h LEU 251 Ca -0.50 -0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.11 1urt h LEU 251 Cb 1.27 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 41.08 1urt h LEU 251 CO 0.58 0.71 0.00 -1.14 -0.62 0.00 0.00 178.44 177.97 1urt n ARG 252 N -4.11 0.00 -0.28 1.25 3.00 -1.26 -3.10 116.66 112.16 1urt n ARG 252 Ca -0.01 0.00 0.08 0.00 -0.00 0.00 0.00 57.85 57.92 1urt n ARG 252 Cb 0.41 0.00 0.22 0.00 0.00 0.00 0.00 32.46 33.09 1urt n ARG 252 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1urt n ASP 253 N 1.05 2.76 -4.81 6.15 5.68 -1.26 -4.97 116.55 121.15 1urt n ASP 253 Ca 0.00 -2.05 -0.33 0.00 -0.50 0.00 0.00 54.79 51.91 1urt n ASP 253 Cb 0.00 -0.35 -0.02 0.00 -1.14 0.00 0.00 41.12 39.61 1urt n ASP 253 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1urt s ARG 254 N -1.40 3.62 -0.39 0.11 0.52 -1.18 -5.03 118.95 115.19 1urt s ARG 254 Ca 0.33 1.24 -0.17 0.00 -0.52 0.00 0.00 55.73 56.61 1urt s ARG 254 Cb 0.18 -2.07 0.01 0.00 0.52 0.00 0.00 34.95 33.58 1urt s ARG 254 CO 0.22 -0.57 0.46 0.21 0.02 0.00 0.00 175.30 175.64 1urt s LYS 255 N -3.70 3.34 -0.65 3.54 2.20 -1.26 -5.04 119.74 118.17 1urt s LYS 255 Ca 0.64 -0.51 -0.20 0.00 -0.36 0.00 0.00 55.97 55.54 1urt s LYS 255 Cb -0.15 -3.89 0.10 0.00 -1.51 0.00 0.00 37.83 32.37 1urt s LYS 255 CO 0.28 -0.75 0.84 -1.17 -0.36 0.00 0.00 175.35 174.20 1urt s LEU 256 N 2.23 5.03 0.46 5.43 2.96 -1.26 -4.58 118.68 128.95 1urt s LEU 256 Ca 0.14 -1.36 -0.14 0.00 -0.22 0.00 0.00 54.13 52.56 1urt s LEU 256 Cb -0.16 -2.35 -0.07 0.00 0.50 0.00 0.00 46.19 44.10 1urt s LEU 256 CO 0.14 -1.22 0.88 -0.13 -1.32 0.00 0.00 176.35 174.69 1urt s ARG 257 N 3.13 3.88 -0.08 1.98 0.52 -0.64 -1.17 118.95 126.57 1urt s ARG 257 Ca 0.17 0.72 0.05 0.00 -0.52 0.00 0.00 55.73 56.15 1urt s ARG 257 Cb -0.19 -2.27 -0.00 0.00 0.52 0.00 0.00 34.95 33.01 1urt s ARG 257 CO 0.06 -0.14 -0.23 0.45 0.02 0.00 0.00 175.30 175.46 1urt s SER 258 N -3.07 2.91 0.14 0.23 0.15 -0.52 -1.34 113.70 112.20 1urt s SER 258 Ca 0.55 -0.51 0.26 0.00 0.70 0.00 0.00 55.95 56.96 1urt s SER 258 Cb -0.10 -1.09 0.79 0.00 -1.71 0.00 0.00 66.02 63.90 1urt s SER 258 CO 0.31 0.18 1.70 -1.54 1.20 0.00 0.00 173.24 175.08 1urt n SER 259 N 3.30 0.61 -4.44 5.45 3.41 -0.69 -1.65 113.62 119.62 1urt n SER 259 Ca -0.19 0.42 -0.29 0.00 -0.26 0.00 0.00 58.87 58.56 1urt n SER 259 Cb 0.53 -0.48 -0.12 0.00 -0.26 0.00 0.00 64.21 63.87 1urt n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1urt s PHE 260 N -3.09 2.39 -2.41 7.33 -0.71 -1.26 -4.86 117.98 115.37 1urt s PHE 260 Ca 0.11 -0.33 0.29 0.00 -1.04 0.00 0.00 56.93 55.95 1urt s PHE 260 Cb 0.14 -1.26 1.20 0.00 -1.21 0.00 0.00 43.02 41.90 1urt s PHE 260 CO 0.61 0.40 1.83 2.89 -1.34 0.00 0.00 175.22 179.61