#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gll n SER 10 N 0.00 4.45 -4.17 1.08 3.41 -1.26 -4.85 113.62 112.28 2gll n SER 10 Ca 0.00 -0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 2gll n SER 10 Cb 0.00 0.40 -0.17 0.00 -0.26 0.00 0.00 64.21 64.18 2gll n SER 10 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2gll s GLN 11 N -2.04 2.89 -0.07 4.33 0.74 -1.26 -3.37 119.66 120.89 2gll s GLN 11 Ca -0.01 -0.81 0.04 0.00 0.05 0.00 0.00 55.36 54.63 2gll s GLN 11 Cb 0.00 -2.29 -0.00 0.00 1.10 0.00 0.00 33.01 31.82 2gll s GLN 11 CO 0.05 0.04 -0.21 -0.06 -0.55 0.00 0.00 175.29 174.57 2gll s PHE 12 N 0.68 2.13 0.64 1.67 0.40 -0.41 -4.97 117.98 118.13 2gll s PHE 12 Ca -0.11 -0.73 -0.00 0.00 -0.60 0.00 0.00 56.93 55.49 2gll s PHE 12 Cb -0.16 -1.43 0.08 0.00 0.51 0.00 0.00 43.02 42.02 2gll s PHE 12 CO 0.02 -0.27 0.90 -0.06 0.70 0.00 0.00 175.22 176.51 2gll s PHE 13 N 0.15 2.21 0.38 0.36 0.40 -1.26 -0.35 117.98 119.87 2gll s PHE 13 Ca -0.10 -0.13 0.16 0.00 -0.60 0.00 0.00 56.93 56.27 2gll s PHE 13 Cb -0.15 -2.88 1.05 0.00 0.51 0.00 0.00 43.02 41.54 2gll s PHE 13 CO 0.05 -1.32 1.78 0.97 0.70 0.00 0.00 175.22 177.39 2gll h ILE 14 N -0.26 0.56 -0.65 0.64 6.09 -1.89 0.69 117.51 122.70 2gll h ILE 14 Ca -0.39 -0.15 0.08 0.00 -1.37 0.00 0.00 64.86 63.02 2gll h ILE 14 Cb 1.28 0.07 -0.06 0.00 0.47 0.00 0.00 36.82 38.58 2gll h ILE 14 CO 0.47 0.08 0.32 -0.08 -3.07 0.00 0.00 178.15 175.86 2gll h GLU 15 N 0.45 0.55 -0.05 2.19 4.57 -1.93 0.17 114.58 120.52 2gll h GLU 15 Ca 0.58 -0.03 -0.22 0.00 -1.18 0.00 0.00 59.36 58.51 2gll h GLU 15 Cb 1.38 -0.12 0.01 0.00 -0.16 0.00 0.00 28.75 29.86 2gll h GLU 15 CO -0.30 0.36 -0.81 0.45 -1.18 0.00 0.00 179.01 177.53 2gll h HIS 16 N 0.56 0.92 -0.72 0.92 3.86 -1.26 -3.18 115.15 116.24 2gll h HIS 16 Ca 0.31 -0.46 0.04 0.00 -1.16 0.00 0.00 60.37 59.10 2gll h HIS 16 Cb 0.30 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 28.60 2gll h HIS 16 CO -0.11 1.29 0.48 0.82 0.86 0.00 0.00 177.93 181.26 2gll h ILE 17 N 0.29 1.08 -0.18 2.45 2.04 -0.88 -1.32 117.51 120.99 2gll h ILE 17 Ca -0.09 -0.29 -0.06 0.00 1.00 0.00 0.00 64.86 65.42 2gll h ILE 17 Cb 1.47 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 2gll h ILE 17 CO 0.16 0.15 -0.16 -0.07 0.00 0.00 0.00 178.15 178.23 2gll h LEU 18 N 0.84 0.29 0.00 1.44 3.38 -0.96 -0.24 115.31 120.06 2gll h LEU 18 Ca 0.30 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2gll h LEU 18 Cb 0.11 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2gll h LEU 18 CO -0.09 0.48 -0.17 0.00 0.09 0.00 0.00 178.44 178.75 2gll n GLN 19 N -4.22 0.17 -0.11 1.13 6.02 -0.54 -4.18 117.38 115.65 2gll n GLN 19 Ca -0.00 0.11 -0.20 0.00 -0.01 0.00 0.00 57.00 56.89 2gll n GLN 19 Cb 0.31 -1.66 -0.09 0.00 1.02 0.00 0.00 30.24 29.81 2gll n GLN 19 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2gll n ILE 20 N -1.94 1.28 -3.33 5.09 2.08 -0.95 -4.40 119.36 117.20 2gll n ILE 20 Ca 0.06 -0.42 -0.37 0.00 0.56 0.00 0.00 62.75 62.57 2gll n ILE 20 Cb 0.40 -1.53 -0.06 0.00 -0.75 0.00 0.00 39.64 37.70 2gll n ILE 20 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 2gll s LEU 21 N -6.74 4.46 0.42 1.39 1.43 -0.14 -4.83 118.68 114.66 2gll s LEU 21 Ca -0.31 1.17 0.22 0.00 -1.03 0.00 0.00 54.13 54.18 2gll s LEU 21 Cb 0.10 -2.98 0.37 0.00 0.03 0.00 0.00 46.19 43.71 2gll s LEU 21 CO 0.47 0.23 1.61 1.55 0.23 0.00 0.00 176.35 180.43 2gll h PRO 22 N 4.24 0.00 -6.78 1.29 0.13 -1.88 -3.44 132.00 125.56 2gll h PRO 22 Ca -0.50 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.07 2gll h PRO 22 Cb 1.21 0.00 0.12 0.00 0.13 0.00 0.00 31.00 32.46 2gll h PRO 22 CO 0.64 0.08 0.45 0.72 -0.23 0.00 0.00 178.00 179.66 2gll n HIS 23 N -3.12 2.04 -4.35 1.56 8.25 -1.26 -5.03 115.22 113.31 2gll n HIS 23 Ca 0.03 0.53 -0.22 0.00 -0.26 0.00 0.00 57.72 57.80 2gll n HIS 23 Cb 0.55 -2.37 -0.08 0.00 1.12 0.00 0.00 29.99 29.21 2gll n HIS 23 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2gll n ARG 24 N 0.20 0.46 -1.87 -0.41 5.12 -1.26 -4.69 116.66 114.20 2gll n ARG 24 Ca 0.06 -3.46 -0.41 0.00 -1.93 0.00 0.00 57.85 52.11 2gll n ARG 24 Cb 0.38 2.57 -0.01 0.00 -1.16 0.00 0.00 32.46 34.24 2gll n ARG 24 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 2gll s TYR 25 N -3.32 2.76 -0.60 -1.55 6.14 -1.26 0.61 117.35 120.13 2gll s TYR 25 Ca 0.36 1.08 -0.00 0.00 0.64 0.00 0.00 57.07 59.14 2gll s TYR 25 Cb 0.02 -3.95 0.49 0.00 0.42 0.00 0.00 41.96 38.93 2gll s TYR 25 CO 0.25 -2.94 1.96 -0.35 0.64 0.00 0.00 175.55 175.11 2gll n PRO 26 N 1.26 2.64 -0.02 4.97 -0.04 -1.26 -4.92 135.00 137.63 2gll n PRO 26 Ca 0.04 -3.28 0.02 0.00 -0.04 0.00 0.00 63.50 60.23 2gll n PRO 26 Cb 0.39 -2.26 0.03 0.00 -0.04 0.00 0.00 33.50 31.62 2gll n PRO 26 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2gll n MET 27 N -0.96 2.54 -3.14 0.54 2.81 0.20 -4.92 117.12 114.20 2gll n MET 27 Ca 0.61 -1.65 -0.44 0.00 -1.81 0.00 0.00 57.70 54.42 2gll n MET 27 Cb 0.87 -1.06 -0.06 0.00 -0.71 0.00 0.00 33.22 32.25 2gll n MET 27 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 2gll s LEU 28 N -1.29 4.89 -0.38 4.03 2.96 -0.83 -4.66 118.68 123.40 2gll s LEU 28 Ca 0.06 -0.84 0.06 0.00 -0.22 0.00 0.00 54.13 53.19 2gll s LEU 28 Cb 0.05 -2.48 0.54 0.00 0.50 0.00 0.00 46.19 44.79 2gll s LEU 28 CO 0.01 -0.89 1.63 0.18 -1.32 0.00 0.00 176.35 175.96 2gll n LEU 29 N 6.22 5.37 -3.74 -0.68 4.77 -1.26 -4.89 117.00 122.78 2gll n LEU 29 Ca -0.06 -3.92 -0.21 0.00 -0.03 0.00 0.00 56.01 51.79 2gll n LEU 29 Cb 0.46 -0.70 -0.18 0.00 -2.33 0.00 0.00 43.42 40.67 2gll n LEU 29 CO 0.54 1.34 -0.36 -0.69 -1.33 0.00 0.00 177.39 176.88 2gll s VAL 30 N -3.63 0.16 -0.11 4.08 1.01 -1.26 -4.63 120.40 116.02 2gll s VAL 30 Ca 0.51 0.24 0.14 0.00 0.00 0.00 0.00 61.98 62.87 2gll s VAL 30 Cb 0.44 -0.35 -0.24 0.00 0.00 0.00 0.00 36.38 36.23 2gll s VAL 30 CO 0.03 0.22 0.40 0.47 0.00 0.00 0.00 175.10 176.21 2gll n ASP 31 N 5.09 0.61 -3.53 3.32 8.00 -0.09 -4.94 116.55 125.01 2gll n ASP 31 Ca -0.08 0.24 -0.18 0.00 0.71 0.00 0.00 54.79 55.48 2gll n ASP 31 Cb 0.50 0.31 -0.06 0.00 -0.02 0.00 0.00 41.12 41.85 2gll n ASP 31 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2gll s ARG 32 N -2.55 1.05 -0.27 -1.24 3.52 -0.93 -2.89 118.95 115.63 2gll s ARG 32 Ca -0.08 0.28 -0.05 0.00 -0.13 0.00 0.00 55.73 55.75 2gll s ARG 32 Cb 0.07 0.50 0.01 0.00 -1.56 0.00 0.00 34.95 33.97 2gll s ARG 32 CO 0.82 -0.32 0.03 0.42 -0.81 0.00 0.00 175.30 175.43 2gll s ILE 33 N -1.14 3.57 -0.13 4.11 -1.09 0.52 -1.20 121.20 125.85 2gll s ILE 33 Ca -0.11 -0.78 0.18 0.00 -2.23 0.00 0.00 60.65 57.71 2gll s ILE 33 Cb -0.00 -2.82 -0.23 0.00 -1.58 0.00 0.00 42.46 37.83 2gll s ILE 33 CO 0.10 0.15 0.40 0.35 -1.23 0.00 0.00 174.94 174.71 2gll n THR 34 N 4.80 1.16 -4.02 2.92 -2.24 -0.02 -1.28 114.28 115.59 2gll n THR 34 Ca -0.15 -0.75 -0.14 0.00 -2.27 0.00 0.00 64.05 60.74 2gll n THR 34 Cb 0.48 -0.54 -0.14 0.00 -2.10 0.00 0.00 70.33 68.03 2gll n THR 34 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2gll s GLU 35 N -2.77 0.24 -0.26 -0.78 2.02 -0.23 -4.52 118.70 112.41 2gll s GLU 35 Ca -0.07 -0.17 -0.05 0.00 0.02 0.00 0.00 54.97 54.70 2gll s GLU 35 Cb 0.08 -0.20 0.14 0.00 0.10 0.00 0.00 34.13 34.25 2gll s GLU 35 CO 0.84 0.05 0.50 -1.17 0.02 0.00 0.00 175.26 175.50 2gll s LEU 36 N -0.24 -0.93 -0.30 1.80 2.96 -1.22 -0.54 118.68 120.21 2gll s LEU 36 Ca -0.01 0.84 0.03 0.00 -0.22 0.00 0.00 54.13 54.77 2gll s LEU 36 Cb -0.02 1.68 0.08 0.00 0.50 0.00 0.00 46.19 48.42 2gll s LEU 36 CO -0.00 -0.26 -0.02 -1.10 -1.32 0.00 0.00 176.35 173.65 2gll s GLN 37 N 2.71 1.97 0.01 1.98 -0.21 -0.09 -4.81 119.66 121.22 2gll s GLN 37 Ca 0.08 -1.56 -0.39 0.00 0.02 0.00 0.00 55.36 53.50 2gll s GLN 37 Cb -0.14 -3.07 -0.19 0.00 1.00 0.00 0.00 33.01 30.61 2gll s GLN 37 CO -0.17 -0.74 1.14 0.00 -2.12 0.00 0.00 175.29 173.40 2gll n ALA 38 N 4.39 -3.00 -0.67 6.09 0.00 -1.26 -0.45 120.51 125.62 2gll n ALA 38 Ca -0.07 0.58 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2gll n ALA 38 Cb 0.42 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.03 2gll n ALA 38 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2gll n ASN 39 N 1.78 -0.86 0.04 0.00 4.13 -1.26 -4.74 115.26 114.35 2gll n ASN 39 Ca 0.20 0.00 -0.00 0.00 1.68 0.00 0.00 54.58 56.45 2gll n ASN 39 Cb 0.10 -2.10 -0.00 0.00 -1.54 0.00 0.00 39.78 36.24 2gll n ASN 39 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2gll n GLN 40 N -1.66 0.03 -3.83 3.52 6.02 0.41 -4.64 117.38 117.23 2gll n GLN 40 Ca 0.00 0.01 -0.07 0.00 -0.01 0.00 0.00 57.00 56.93 2gll n GLN 40 Cb 0.06 -0.52 0.00 0.00 1.02 0.00 0.00 30.24 30.81 2gll n GLN 40 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2gll s LYS 41 N -1.98 1.82 -0.10 -1.09 -2.85 -0.79 -1.23 119.74 113.52 2gll s LYS 41 Ca -0.02 -1.09 -0.15 0.00 -1.00 0.00 0.00 55.97 53.71 2gll s LYS 41 Cb 0.00 0.56 0.04 0.00 -2.06 0.00 0.00 37.83 36.37 2gll s LYS 41 CO 0.02 -0.84 0.39 -1.50 0.10 0.00 0.00 175.35 173.51 2gll s ILE 42 N -3.08 0.02 -0.11 3.79 2.07 -0.32 -0.92 121.20 122.66 2gll s ILE 42 Ca 0.14 -0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 2gll s ILE 42 Cb -0.05 -0.60 0.02 0.00 0.13 0.00 0.00 42.46 41.97 2gll s ILE 42 CO 0.08 -0.08 -0.10 -0.69 -1.91 0.00 0.00 174.94 172.24 2gll s VAL 43 N -0.31 1.14 0.29 4.00 1.01 0.30 -2.12 120.40 124.72 2gll s VAL 43 Ca -0.05 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 2gll s VAL 43 Cb -0.03 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 2gll s VAL 43 CO 0.02 0.38 0.40 0.00 0.00 0.00 0.00 175.10 175.90 2gll s ALA 44 N 1.46 0.68 0.21 5.51 0.00 -1.01 -0.84 121.76 127.78 2gll s ALA 44 Ca 0.01 -1.44 -0.16 0.00 0.00 0.00 0.00 51.96 50.37 2gll s ALA 44 Cb -0.13 1.20 0.02 0.00 0.00 0.00 0.00 23.12 24.21 2gll s ALA 44 CO -0.06 -0.76 0.52 1.52 0.00 0.00 0.00 175.76 176.97 2gll s TYR 45 N -3.51 -0.00 -0.03 0.00 1.13 -0.34 0.56 117.35 115.15 2gll s TYR 45 Ca 0.31 -0.36 0.01 0.00 -1.41 0.00 0.00 57.07 55.62 2gll s TYR 45 Cb 0.01 0.35 0.02 0.00 -1.10 0.00 0.00 41.96 41.24 2gll s TYR 45 CO 0.17 -0.95 -0.03 0.21 -2.51 0.00 0.00 175.55 172.44 2gll s LYS 46 N -3.91 0.58 0.46 -3.49 2.20 -0.31 -0.91 119.74 114.36 2gll s LYS 46 Ca 0.12 -0.07 -0.20 0.00 -0.36 0.00 0.00 55.97 55.46 2gll s LYS 46 Cb -0.01 -0.64 -0.10 0.00 -1.51 0.00 0.00 37.83 35.58 2gll s LYS 46 CO 0.00 -0.05 0.98 -0.80 -0.36 0.00 0.00 175.35 175.12 2gll s ASN 47 N 0.72 6.72 -0.22 1.43 0.01 -1.26 -1.70 114.94 120.64 2gll s ASN 47 Ca -0.09 1.74 -0.01 0.00 -0.71 0.00 0.00 52.86 53.79 2gll s ASN 47 Cb -0.12 -2.54 0.02 0.00 0.41 0.00 0.00 41.25 39.02 2gll s ASN 47 CO -0.00 -0.52 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.33 2gll s ILE 48 N -2.20 2.67 0.13 0.60 -1.09 -0.54 -4.91 121.20 115.86 2gll s ILE 48 Ca 0.63 -0.89 0.05 0.00 -2.23 0.00 0.00 60.65 58.22 2gll s ILE 48 Cb -0.11 -2.25 -0.04 0.00 -1.58 0.00 0.00 42.46 38.48 2gll s ILE 48 CO 0.18 0.37 -0.12 0.28 -1.23 0.00 0.00 174.94 174.41 2gll s THR 49 N 1.34 1.24 0.37 2.92 -1.32 -1.26 0.45 115.64 119.38 2gll s THR 49 Ca 0.03 -1.80 0.10 0.00 -1.21 0.00 0.00 61.69 58.81 2gll s THR 49 Cb -0.15 -1.59 0.13 0.00 -1.51 0.00 0.00 72.50 69.38 2gll s THR 49 CO -0.07 -0.53 1.87 0.15 -2.21 0.00 0.00 174.62 173.83 2gll h PHE 50 N 3.31 0.18 0.00 9.09 3.57 -1.96 -3.22 116.94 127.91 2gll h PHE 50 Ca -0.38 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.09 2gll h PHE 50 Cb 1.19 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.89 2gll h PHE 50 CO 0.65 0.40 0.00 -1.71 -2.23 0.00 0.00 178.31 175.42 2gll n ASN 51 N -4.20 1.86 -4.31 0.41 4.05 -1.26 -4.72 115.26 107.09 2gll n ASN 51 Ca -0.01 -1.37 -0.32 0.00 0.45 0.00 0.00 54.58 53.33 2gll n ASN 51 Cb 0.33 -0.38 -0.16 0.00 1.23 0.00 0.00 39.78 40.80 2gll n ASN 51 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2gll s GLU 52 N 1.08 2.83 0.24 1.20 2.02 -1.22 -5.04 118.70 119.80 2gll s GLU 52 Ca 0.00 -0.82 -0.06 0.00 0.02 0.00 0.00 54.97 54.11 2gll s GLU 52 Cb 0.00 -2.33 0.42 0.00 0.10 0.00 0.00 34.13 32.32 2gll s GLU 52 CO 0.00 0.34 1.70 0.22 0.02 0.00 0.00 175.26 177.54 2gll h ASP 53 N 6.23 0.08 -1.06 -0.19 3.58 -1.94 -2.28 116.42 120.83 2gll h ASP 53 Ca -0.30 0.13 0.30 0.00 0.42 0.00 0.00 57.03 57.58 2gll h ASP 53 Cb 1.19 0.16 -0.05 0.00 1.72 0.00 0.00 39.33 42.35 2gll h ASP 53 CO 0.49 0.01 0.75 -0.37 -2.88 0.00 0.00 179.24 177.25 2gll h VAL 54 N 0.31 0.48 0.00 2.25 -1.51 -1.96 0.20 116.25 116.02 2gll h VAL 54 Ca 0.39 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.83 2gll h VAL 54 Cb 0.62 0.38 0.00 0.00 -2.13 0.00 0.00 31.29 30.17 2gll h VAL 54 CO -0.45 0.02 0.00 0.49 -1.23 0.00 0.00 177.57 176.39 2gll n PHE 55 N -4.30 0.71 0.12 5.19 3.01 -0.86 -2.35 117.46 118.98 2gll n PHE 55 Ca 0.23 0.29 0.03 0.00 1.01 0.00 0.00 57.45 59.01 2gll n PHE 55 Cb 1.08 -0.96 0.42 0.00 -0.01 0.00 0.00 39.48 40.01 2gll n PHE 55 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 2gll h ASN 56 N 0.00 0.22 0.00 4.37 2.35 -0.75 -3.27 115.58 118.50 2gll h ASN 56 Ca 0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2gll h ASN 56 Cb 0.32 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2gll h ASN 56 CO 0.00 0.33 -0.02 0.61 -1.65 0.00 0.00 177.43 176.70 2gll n GLY 57 N -1.01 2.66 2.41 2.83 0.00 -0.99 -4.23 105.19 106.86 2gll n GLY 57 Ca -0.01 -0.28 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 2gll n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2gll n HIS 58 N -0.65 -1.51 -4.22 1.61 -0.00 -1.01 -4.60 115.22 104.84 2gll n HIS 58 Ca 0.04 -2.88 -0.17 0.00 -0.00 0.00 0.00 57.72 54.71 2gll n HIS 58 Cb 0.39 0.39 -0.11 0.00 -0.00 0.00 0.00 29.99 30.67 2gll n HIS 58 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 2gll s PHE 59 N -0.29 1.31 0.20 1.57 0.08 0.14 -1.82 117.98 119.18 2gll s PHE 59 Ca 0.33 -0.58 -0.32 0.00 0.12 0.00 0.00 56.93 56.48 2gll s PHE 59 Cb 0.14 -0.69 -0.14 0.00 -0.57 0.00 0.00 43.02 41.75 2gll s PHE 59 CO -0.15 0.11 1.33 -0.35 -0.10 0.00 0.00 175.22 176.06 2gll n PRO 60 N 0.53 1.69 -1.08 0.24 -0.04 -1.26 -0.25 135.00 134.82 2gll n PRO 60 Ca -0.15 0.60 -0.03 0.00 -0.04 0.00 0.00 63.50 63.88 2gll n PRO 60 Cb 0.57 -2.21 -0.01 0.00 -0.04 0.00 0.00 33.50 31.81 2gll n PRO 60 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2gll n ASN 61 N 2.24 -5.21 -2.78 3.54 3.02 -1.26 -4.86 115.26 109.96 2gll n ASN 61 Ca 0.14 0.07 -0.06 0.00 -0.03 0.00 0.00 54.58 54.69 2gll n ASN 61 Cb 0.28 -2.95 0.02 0.00 -0.61 0.00 0.00 39.78 36.52 2gll n ASN 61 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2gll n LYS 62 N -0.42 0.61 -2.05 3.52 3.00 0.65 -5.12 118.16 118.35 2gll n LYS 62 Ca -0.03 -1.99 -0.43 0.00 -0.00 0.00 0.00 58.31 55.87 2gll n LYS 62 Cb 0.40 -1.47 -0.03 0.00 0.00 0.00 0.00 35.03 33.93 2gll n LYS 62 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2gll s PRO 63 N 0.78 3.56 -0.16 1.64 0.04 -1.22 -0.68 135.00 138.96 2gll s PRO 63 Ca 0.31 1.55 -0.01 0.00 0.04 0.00 0.00 61.00 62.88 2gll s PRO 63 Cb 0.07 -4.12 0.04 0.00 0.04 0.00 0.00 34.50 30.53 2gll s PRO 63 CO -0.11 -1.58 -0.03 0.42 0.04 0.00 0.00 177.00 175.73 2gll s ILE 64 N 6.05 0.92 0.17 0.56 1.01 -0.75 -4.43 121.20 124.72 2gll s ILE 64 Ca 0.76 -0.54 -0.33 0.00 0.00 0.00 0.00 60.65 60.54 2gll s ILE 64 Cb -0.24 -1.16 -0.13 0.00 0.01 0.00 0.00 42.46 40.94 2gll s ILE 64 CO 0.32 0.07 1.61 0.33 0.00 0.00 0.00 174.94 177.28 2gll n PHE 65 N 4.94 2.38 -1.73 3.97 7.35 0.36 -4.63 117.46 130.08 2gll n PHE 65 Ca -0.11 0.22 -0.42 0.00 -0.76 0.00 0.00 57.45 56.38 2gll n PHE 65 Cb 0.48 -2.57 -0.02 0.00 0.35 0.00 0.00 39.48 37.72 2gll n PHE 65 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 2gll n PRO 66 N 3.57 2.66 -0.26 -7.13 -0.02 -1.26 -4.60 135.00 127.95 2gll n PRO 66 Ca 0.17 0.95 -0.01 0.00 -2.02 0.00 0.00 63.50 62.59 2gll n PRO 66 Cb 0.30 -2.74 0.18 0.00 -0.02 0.00 0.00 33.50 31.23 2gll n PRO 66 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2gll h GLY 67 N 5.14 1.17 2.00 -1.23 0.00 -1.99 -1.79 103.07 106.36 2gll h GLY 67 Ca -0.46 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.37 2gll h GLY 67 CO 0.82 0.47 -0.11 -0.39 0.00 0.00 0.00 176.54 177.33 2gll h VAL 68 N 1.11 0.47 0.00 4.60 -1.51 -2.00 -1.81 116.25 117.11 2gll h VAL 68 Ca 0.29 -0.53 -0.06 0.00 -1.23 0.00 0.00 66.70 65.18 2gll h VAL 68 Cb -0.05 1.36 -0.01 0.00 -2.13 0.00 0.00 31.29 30.46 2gll h VAL 68 CO -0.05 0.10 -0.46 -0.07 -1.23 0.00 0.00 177.57 175.86 2gll h LEU 69 N 0.00 0.00 -0.22 4.19 3.38 -1.71 -2.30 115.31 118.65 2gll h LEU 69 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2gll h LEU 69 Cb 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2gll h LEU 69 CO 0.01 0.26 -0.16 0.40 0.09 0.00 0.00 178.44 179.05 2gll h ILE 70 N 0.00 1.32 -0.64 1.22 2.04 -1.07 -0.87 117.51 119.51 2gll h ILE 70 Ca -0.02 -1.28 -0.04 0.00 1.00 0.00 0.00 64.86 64.53 2gll h ILE 70 Cb 1.21 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 38.93 2gll h ILE 70 CO 0.03 0.39 0.25 0.58 0.00 0.00 0.00 178.15 179.40 2gll h VAL 71 N 0.19 1.22 -0.29 1.67 2.07 -1.50 -1.03 116.25 118.58 2gll h VAL 71 Ca 0.04 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 2gll h VAL 71 Cb 0.68 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2gll h VAL 71 CO 0.04 0.28 0.17 -0.08 0.02 0.00 0.00 177.57 178.00 2gll h GLU 72 N 0.92 0.40 -0.90 1.57 4.57 -1.16 0.23 114.58 120.21 2gll h GLU 72 Ca 0.22 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.35 2gll h GLU 72 Cb 0.18 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.65 2gll h GLU 72 CO -0.02 0.32 0.55 0.78 -1.18 0.00 0.00 179.01 179.47 2gll h GLY 73 N 0.37 1.30 0.99 1.92 0.00 -0.72 0.21 103.07 107.14 2gll h GLY 73 Ca 0.10 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 2gll h GLY 73 CO -0.02 0.52 0.19 -0.33 0.00 0.00 0.00 176.54 176.90 2gll h MET 74 N 1.24 0.85 -0.42 4.80 2.86 -0.58 -0.49 114.93 123.20 2gll h MET 74 Ca 0.33 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 2gll h MET 74 Cb -0.07 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.45 2gll h MET 74 CO -0.06 0.76 0.20 0.00 1.06 0.00 0.00 176.91 178.87 2gll h ALA 75 N 1.05 0.54 -0.95 6.32 0.00 0.39 -0.13 119.26 126.47 2gll h ALA 75 Ca 0.18 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2gll h ALA 75 Cb 0.25 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 2gll h ALA 75 CO -0.01 0.10 0.63 1.96 0.00 0.00 0.00 179.25 181.93 2gll h GLN 76 N 0.53 1.19 -0.48 0.00 4.20 -0.29 0.90 115.11 121.15 2gll h GLN 76 Ca 0.14 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.68 2gll h GLN 76 Cb 0.13 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 2gll h GLN 76 CO -0.02 0.79 -0.09 0.77 -0.67 0.00 0.00 178.83 179.61 2gll h SER 77 N 1.22 0.91 -0.16 1.46 0.02 -0.57 -1.73 113.55 114.70 2gll h SER 77 Ca 0.37 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2gll h SER 77 Cb -0.03 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 2gll h SER 77 CO -0.11 1.05 0.10 1.23 -1.14 0.00 0.00 176.83 177.96 2gll h GLY 78 N 0.76 0.22 0.47 -3.77 0.00 -0.15 -1.55 103.07 99.05 2gll h GLY 78 Ca 0.13 -0.08 0.09 0.00 0.00 0.00 0.00 47.33 47.47 2gll h GLY 78 CO 0.04 0.07 0.37 -1.33 0.00 0.00 0.00 176.54 175.70 2gll h GLY 79 N 0.20 1.10 0.97 4.60 0.00 -0.64 0.15 103.07 109.46 2gll h GLY 79 Ca 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 2gll h GLY 79 CO -0.02 0.06 0.23 -2.75 0.00 0.00 0.00 176.54 174.06 2gll h PHE 80 N 0.63 0.75 0.14 5.60 3.57 -1.01 0.20 116.94 126.80 2gll h PHE 80 Ca 0.36 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.83 2gll h PHE 80 Cb 0.38 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 2gll h PHE 80 CO -0.10 0.60 -0.18 1.25 -2.23 0.00 0.00 178.31 177.65 2gll h LEU 81 N 0.68 -0.48 0.32 0.59 5.85 -0.23 -0.31 115.31 121.72 2gll h LEU 81 Ca 0.17 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 2gll h LEU 81 Cb 0.14 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2gll h LEU 81 CO -0.02 -0.26 -0.26 0.00 -0.34 0.00 0.00 178.44 177.56 2gll h ALA 82 N 0.45 -0.58 0.00 1.25 0.00 -0.53 -1.29 119.26 118.56 2gll h ALA 82 Ca 0.01 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2gll h ALA 82 Cb 0.36 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2gll h ALA 82 CO -0.07 -0.85 -0.17 0.35 0.00 0.00 0.00 179.25 178.50 2gll h PHE 83 N -0.59 -0.46 -0.18 0.00 3.57 -0.83 -2.06 116.94 116.40 2gll h PHE 83 Ca -0.02 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2gll h PHE 83 Cb 0.52 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 2gll h PHE 83 CO -0.15 -0.25 0.08 1.79 -2.23 0.00 0.00 178.31 177.55 2gll h THR 84 N -0.29 1.07 -0.38 4.41 1.35 -1.03 -1.04 112.91 117.00 2gll h THR 84 Ca 0.05 -0.21 -0.09 0.00 -0.55 0.00 0.00 66.41 65.62 2gll h THR 84 Cb 0.36 0.85 -0.02 0.00 -1.73 0.00 0.00 68.15 67.61 2gll h THR 84 CO -0.17 0.08 -0.12 0.28 -0.25 0.00 0.00 175.52 175.35 2gll h SER 85 N 0.25 0.66 0.06 5.36 0.02 -0.57 0.78 113.55 120.10 2gll h SER 85 Ca 0.06 -0.19 -0.10 0.00 -0.84 0.00 0.00 61.79 60.73 2gll h SER 85 Cb 0.04 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.41 2gll h SER 85 CO -0.01 0.80 -0.42 -0.07 -1.14 0.00 0.00 176.83 176.00 2gll h LEU 86 N 0.61 0.26 -0.96 5.07 -0.00 -0.73 -3.42 115.31 116.14 2gll h LEU 86 Ca 0.11 -0.94 0.00 0.00 -0.00 0.00 0.00 57.88 57.05 2gll h LEU 86 Cb 0.55 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.13 2gll h LEU 86 CO 0.03 1.18 0.00 0.79 -0.00 0.00 0.00 178.44 180.44 2gll n TRP 87 N -4.37 0.00 -4.46 1.13 8.01 -0.48 -5.13 117.44 112.15 2gll n TRP 87 Ca -0.12 -0.05 0.00 0.00 -1.31 0.00 0.00 57.50 56.03 2gll n TRP 87 Cb 0.64 -0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.94 2gll n TRP 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2gll n GLY 88 N -0.05 -1.05 3.57 6.99 0.00 0.27 -4.24 105.19 110.68 2gll n GLY 88 Ca 0.00 -1.17 -0.36 0.00 0.00 0.00 0.00 46.02 44.49 2gll n GLY 88 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gll s PHE 89 N 0.00 2.34 -0.47 1.61 5.36 -1.26 -4.40 117.98 121.15 2gll s PHE 89 Ca 0.00 -0.50 0.03 0.00 -0.96 0.00 0.00 56.93 55.50 2gll s PHE 89 Cb 0.00 -4.44 0.13 0.00 -0.34 0.00 0.00 43.02 38.37 2gll s PHE 89 CO 0.00 -1.72 0.25 0.34 -1.46 0.00 0.00 175.22 172.63 2gll s ASP 90 N 5.71 3.85 0.29 6.13 -1.08 -1.26 -4.99 116.67 125.32 2gll s ASP 90 Ca 0.58 -2.76 0.03 0.00 -0.52 0.00 0.00 52.55 49.87 2gll s ASP 90 Cb -0.00 -1.22 0.61 0.00 -1.46 0.00 0.00 42.92 40.85 2gll s ASP 90 CO 0.02 -0.25 1.83 -0.65 0.52 0.00 0.00 175.17 176.64 2gll h PRO 91 N 6.63 0.90 0.25 4.34 0.11 -1.89 0.33 132.00 142.66 2gll h PRO 91 Ca -0.03 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 2gll h PRO 91 Cb 0.91 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.82 2gll h PRO 91 CO 0.55 0.60 -0.12 1.49 -0.21 0.00 0.00 178.00 180.30 2gll h GLU 92 N 0.93 -0.32 -0.17 1.05 4.81 -1.94 -2.58 114.58 116.35 2gll h GLU 92 Ca 0.50 0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.64 2gll h GLU 92 Cb 0.57 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 2gll h GLU 92 CO -0.27 -0.19 -0.40 0.82 -0.73 0.00 0.00 179.01 178.24 2gll h ILE 93 N -0.37 1.31 -0.94 2.32 2.04 -1.91 -3.06 117.51 116.89 2gll h ILE 93 Ca -0.03 -1.54 0.17 0.00 1.00 0.00 0.00 64.86 64.46 2gll h ILE 93 Cb 0.28 1.62 -0.08 0.00 -0.74 0.00 0.00 36.82 37.90 2gll h ILE 93 CO 0.06 0.47 0.60 0.00 0.00 0.00 0.00 178.15 179.28 2gll h ALA 94 N 1.24 1.89 0.00 1.87 0.00 -0.60 0.01 119.26 123.67 2gll h ALA 94 Ca 0.03 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2gll h ALA 94 Cb 0.85 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2gll h ALA 94 CO 0.07 -0.18 0.00 0.87 0.00 0.00 0.00 179.25 180.01 2gll h LYS 95 N 0.64 0.00 -0.67 0.00 1.57 -1.36 -2.88 116.57 113.87 2gll h LYS 95 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 2gll h LYS 95 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 2gll h LYS 95 CO -0.25 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 178.88 2gll n THR 96 N -2.36 1.00 -4.35 -0.16 -2.24 -0.01 -4.84 114.28 101.32 2gll n THR 96 Ca 0.01 -1.00 -0.20 0.00 -2.27 0.00 0.00 64.05 60.60 2gll n THR 96 Cb 0.21 0.50 -0.10 0.00 -2.10 0.00 0.00 70.33 68.83 2gll n THR 96 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2gll s LYS 97 N -1.00 1.34 -0.00 -0.78 -0.14 -1.09 -0.48 119.74 117.58 2gll s LYS 97 Ca 0.45 -1.56 0.02 0.00 -1.36 0.00 0.00 55.97 53.52 2gll s LYS 97 Cb 0.23 -1.21 -0.00 0.00 -1.68 0.00 0.00 37.83 35.17 2gll s LYS 97 CO 0.31 0.21 -0.06 0.96 -0.76 0.00 0.00 175.35 176.01 2gll s ILE 98 N -2.72 0.45 -0.76 2.17 -4.36 -0.70 -4.54 121.20 110.73 2gll s ILE 98 Ca 0.21 -0.25 -0.07 0.00 -0.26 0.00 0.00 60.65 60.29 2gll s ILE 98 Cb -0.02 -0.38 0.20 0.00 1.25 0.00 0.00 42.46 43.50 2gll s ILE 98 CO 0.07 0.12 0.64 -0.69 0.24 0.00 0.00 174.94 175.32 2gll s VAL 99 N -0.15 4.55 -0.24 8.37 1.01 -1.26 -1.81 120.40 130.86 2gll s VAL 99 Ca 0.02 -2.99 -0.29 0.00 0.00 0.00 0.00 61.98 58.72 2gll s VAL 99 Cb -0.02 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.50 2gll s VAL 99 CO -0.00 -0.98 1.09 -0.47 0.00 0.00 0.00 175.10 174.74 2gll s TYR 100 N -0.28 3.22 -0.16 5.22 5.04 -0.59 -4.84 117.35 124.95 2gll s TYR 100 Ca 0.20 1.34 -0.21 0.00 -2.44 0.00 0.00 57.07 55.95 2gll s TYR 100 Cb -0.14 -3.40 -0.03 0.00 0.35 0.00 0.00 41.96 38.73 2gll s TYR 100 CO -0.07 -0.74 0.62 -0.06 -1.34 0.00 0.00 175.55 173.96 2gll s PHE 101 N 3.36 3.43 -0.19 4.97 0.40 -1.26 0.78 117.98 129.47 2gll s PHE 101 Ca 0.46 0.99 0.00 0.00 -0.60 0.00 0.00 56.93 57.78 2gll s PHE 101 Cb -0.15 -2.77 -0.21 0.00 0.51 0.00 0.00 43.02 40.40 2gll s PHE 101 CO 0.09 -0.08 0.05 -1.33 0.70 0.00 0.00 175.22 174.66 2gll n MET 102 N 4.61 0.69 -3.90 0.44 2.81 0.36 -4.97 117.12 117.17 2gll n MET 102 Ca -0.02 0.19 -0.10 0.00 -1.81 0.00 0.00 57.70 55.96 2gll n MET 102 Cb 0.50 -1.60 -0.09 0.00 -0.71 0.00 0.00 33.22 31.32 2gll n MET 102 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2gll s THR 103 N -2.54 0.12 -0.02 2.03 -4.23 -1.13 -5.01 115.64 104.87 2gll s THR 103 Ca -0.27 -1.02 0.02 0.00 -1.18 0.00 0.00 61.69 59.23 2gll s THR 103 Cb 0.08 -0.91 0.00 0.00 1.34 0.00 0.00 72.50 73.01 2gll s THR 103 CO 0.69 -0.56 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.49 2gll s ILE 104 N -2.63 0.71 0.12 2.99 1.01 -1.26 -1.12 121.20 121.02 2gll s ILE 104 Ca -0.05 -0.33 -0.08 0.00 0.00 0.00 0.00 60.65 60.19 2gll s ILE 104 Cb -0.01 -0.63 -0.01 0.00 0.01 0.00 0.00 42.46 41.82 2gll s ILE 104 CO -0.04 0.22 0.21 -0.62 0.00 0.00 0.00 174.94 174.70 2gll s ASP 105 N 0.13 0.12 -1.48 3.58 2.15 0.11 -4.96 116.67 116.33 2gll s ASP 105 Ca -0.02 -0.82 -0.03 0.00 0.43 0.00 0.00 52.55 52.12 2gll s ASP 105 Cb -0.07 0.37 0.00 0.00 -0.30 0.00 0.00 42.92 42.92 2gll s ASP 105 CO 0.00 -0.79 0.18 0.29 -0.17 0.00 0.00 175.17 174.68 2gll n LYS 106 N -0.12 -1.61 -3.67 4.34 4.76 -1.26 -0.40 118.16 120.20 2gll n LYS 106 Ca -0.11 0.19 -0.36 0.00 -2.87 0.00 0.00 58.31 55.16 2gll n LYS 106 Cb 0.63 -3.81 -0.07 0.00 -1.84 0.00 0.00 35.03 29.94 2gll n LYS 106 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2gll s VAL 107 N -4.19 5.36 -0.02 -0.18 0.11 -1.26 -3.90 120.40 116.32 2gll s VAL 107 Ca 0.04 0.37 0.03 0.00 -2.93 0.00 0.00 61.98 59.48 2gll s VAL 107 Cb -0.02 -3.53 0.00 0.00 -1.53 0.00 0.00 36.38 31.30 2gll s VAL 107 CO 0.96 0.46 -0.10 -0.54 -3.33 0.00 0.00 175.10 172.55 2gll s LYS 108 N 0.07 1.00 -0.20 1.54 1.02 -0.77 -4.97 119.74 117.44 2gll s LYS 108 Ca 0.13 -0.35 -0.06 0.00 0.02 0.00 0.00 55.97 55.72 2gll s LYS 108 Cb -0.12 -0.94 -0.03 0.00 -0.52 0.00 0.00 37.83 36.22 2gll s LYS 108 CO 0.02 0.15 0.03 -0.06 -0.92 0.00 0.00 175.35 174.57 2gll s PHE 109 N 0.08 3.12 -0.18 3.18 0.40 -1.26 -1.85 117.98 121.46 2gll s PHE 109 Ca -0.01 -0.23 -0.05 0.00 -0.60 0.00 0.00 56.93 56.04 2gll s PHE 109 Cb -0.08 -2.09 -0.10 0.00 0.51 0.00 0.00 43.02 41.27 2gll s PHE 109 CO 0.00 -0.09 -0.20 0.54 0.70 0.00 0.00 175.22 176.17 2gll n ARG 110 N 4.01 0.42 -4.38 0.44 1.74 -0.12 -5.00 116.66 113.77 2gll n ARG 110 Ca -0.17 0.14 -0.25 0.00 -0.77 0.00 0.00 57.85 56.81 2gll n ARG 110 Cb 0.52 -1.25 -0.17 0.00 -1.02 0.00 0.00 32.46 30.54 2gll n ARG 110 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2gll s ILE 111 N -2.35 1.06 0.71 0.55 1.01 -1.15 -5.06 121.20 115.96 2gll s ILE 111 Ca -0.25 -0.40 -0.16 0.00 0.00 0.00 0.00 60.65 59.84 2gll s ILE 111 Cb 0.08 -1.00 0.02 0.00 0.01 0.00 0.00 42.46 41.58 2gll s ILE 111 CO 0.36 0.35 1.27 -2.16 0.00 0.00 0.00 174.94 174.76 2gll s PRO 112 N 0.94 2.21 -0.15 2.79 0.04 -1.26 -4.83 135.00 134.75 2gll s PRO 112 Ca -0.09 1.97 -0.04 0.00 0.04 0.00 0.00 61.00 62.88 2gll s PRO 112 Cb -0.15 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 2gll s PRO 112 CO 0.00 -1.84 -0.02 0.08 0.04 0.00 0.00 177.00 175.26 2gll s VAL 113 N -1.64 4.02 0.15 -0.36 1.01 -1.26 -5.04 120.40 117.27 2gll s VAL 113 Ca 0.80 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.49 2gll s VAL 113 Cb -0.35 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 2gll s VAL 113 CO 0.44 0.50 -0.06 0.42 0.00 0.00 0.00 175.10 176.40 2gll s THR 114 N 0.21 0.93 0.13 3.92 -4.23 -1.26 -0.49 115.64 114.84 2gll s THR 114 Ca -0.01 -2.01 -0.35 0.00 -1.18 0.00 0.00 61.69 58.14 2gll s THR 114 Cb -0.14 -1.92 -0.16 0.00 1.34 0.00 0.00 72.50 71.62 2gll s THR 114 CO 0.03 -0.68 1.20 -2.65 -0.54 0.00 0.00 174.62 171.98 2gll n PRO 115 N -0.19 1.02 0.00 3.99 -0.02 -1.26 -1.16 135.00 137.39 2gll n PRO 115 Ca -0.09 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2gll n PRO 115 Cb 0.62 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 2gll n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gll n GLY 116 N 2.16 2.39 3.83 -1.23 0.00 0.17 -4.93 105.19 107.59 2gll n GLY 116 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2gll n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gll s ASP 117 N -1.50 6.84 -0.42 1.61 -0.00 -0.30 -4.89 116.67 118.00 2gll s ASP 117 Ca 0.00 1.63 -0.06 0.00 -0.00 0.00 0.00 52.55 54.12 2gll s ASP 117 Cb 0.00 -2.52 0.10 0.00 -0.00 0.00 0.00 42.92 40.49 2gll s ASP 117 CO 0.00 -0.42 0.24 -0.60 -0.00 0.00 0.00 175.17 174.39 2gll s ARG 118 N -3.44 2.36 -0.54 8.23 3.52 -1.26 -1.47 118.95 126.35 2gll s ARG 118 Ca 0.61 -1.63 -0.26 0.00 -0.13 0.00 0.00 55.73 54.32 2gll s ARG 118 Cb -0.09 -3.69 0.03 0.00 -1.56 0.00 0.00 34.95 29.64 2gll s ARG 118 CO 0.19 -1.02 1.03 -1.17 -0.81 0.00 0.00 175.30 173.52 2gll s LEU 119 N 1.30 3.86 -0.28 -0.88 2.96 -0.69 -4.34 118.68 120.61 2gll s LEU 119 Ca 0.05 -0.08 -0.12 0.00 -0.22 0.00 0.00 54.13 53.76 2gll s LEU 119 Cb -0.23 -3.04 -0.05 0.00 0.50 0.00 0.00 46.19 43.37 2gll s LEU 119 CO -0.01 -1.27 0.22 -0.70 -1.32 0.00 0.00 176.35 173.26 2gll s GLU 120 N 4.25 3.96 -0.15 1.98 2.12 0.49 -1.16 118.70 130.19 2gll s GLU 120 Ca 0.36 -0.27 -0.21 0.00 0.36 0.00 0.00 54.97 55.21 2gll s GLU 120 Cb -0.10 -3.66 -0.03 0.00 0.26 0.00 0.00 34.13 30.60 2gll s GLU 120 CO 0.23 -0.19 0.64 0.71 -0.54 0.00 0.00 175.26 176.10 2gll s TYR 121 N 1.80 3.45 -0.32 5.30 1.51 0.19 0.33 117.35 129.62 2gll s TYR 121 Ca 0.08 1.03 0.04 0.00 -1.01 0.00 0.00 57.07 57.20 2gll s TYR 121 Cb -0.16 -2.78 0.09 0.00 -0.11 0.00 0.00 41.96 39.00 2gll s TYR 121 CO 0.11 -0.06 0.01 -1.01 -1.11 0.00 0.00 175.55 173.49 2gll s HIS 122 N 1.44 3.60 0.17 2.71 3.76 0.15 -2.39 115.29 124.73 2gll s HIS 122 Ca 0.31 -2.81 0.10 0.00 -0.15 0.00 0.00 55.06 52.52 2gll s HIS 122 Cb -0.16 -2.65 -0.04 0.00 1.11 0.00 0.00 32.58 30.84 2gll s HIS 122 CO 0.12 -0.93 -0.22 -0.51 -0.85 0.00 0.00 174.74 172.35 2gll s LEU 123 N 0.96 2.41 0.01 0.89 1.43 -0.90 -0.56 118.68 122.92 2gll s LEU 123 Ca 0.06 -0.84 -0.07 0.00 -1.03 0.00 0.00 54.13 52.24 2gll s LEU 123 Cb -0.19 -1.05 0.00 0.00 0.03 0.00 0.00 46.19 44.98 2gll s LEU 123 CO -0.07 0.07 0.14 -1.83 0.23 0.00 0.00 176.35 174.89 2gll s GLU 124 N -2.58 0.50 -0.08 1.70 -1.05 -0.19 -1.17 118.70 115.83 2gll s GLU 124 Ca 0.17 -0.43 -0.30 0.00 -0.15 0.00 0.00 54.97 54.27 2gll s GLU 124 Cb -0.08 0.21 -0.03 0.00 -0.44 0.00 0.00 34.13 33.79 2gll s GLU 124 CO 0.08 -0.12 1.29 0.08 0.95 0.00 0.00 175.26 177.54 2gll s VAL 125 N -1.49 4.11 -0.12 1.83 1.01 -0.36 -1.79 120.40 123.58 2gll s VAL 125 Ca -0.14 1.41 0.16 0.00 0.00 0.00 0.00 61.98 63.41 2gll s VAL 125 Cb -0.07 -3.91 -0.23 0.00 0.00 0.00 0.00 36.38 32.17 2gll s VAL 125 CO 0.01 -0.05 0.43 0.18 0.00 0.00 0.00 175.10 175.67 2gll n LEU 126 N 5.85 0.47 -3.63 3.92 4.77 0.12 -4.95 117.00 123.56 2gll n LEU 126 Ca 0.13 0.22 -0.09 0.00 -0.03 0.00 0.00 56.01 56.24 2gll n LEU 126 Cb 0.45 0.28 -0.07 0.00 -2.33 0.00 0.00 43.42 41.75 2gll n LEU 126 CO 0.57 0.38 0.73 -0.75 -1.33 0.00 0.00 177.39 176.99 2gll s LYS 127 N -2.64 0.52 -0.15 3.23 2.20 -0.98 -4.99 119.74 116.92 2gll s LYS 127 Ca -0.07 0.57 -0.04 0.00 -0.36 0.00 0.00 55.97 56.07 2gll s LYS 127 Cb 0.08 0.25 0.06 0.00 -1.51 0.00 0.00 37.83 36.71 2gll s LYS 127 CO 0.83 -0.07 0.11 -1.58 -0.36 0.00 0.00 175.35 174.28 2gll s HIS 128 N 0.12 0.06 -0.20 4.03 5.65 -1.26 -0.18 115.29 123.51 2gll s HIS 128 Ca 0.03 -0.06 -0.03 0.00 0.25 0.00 0.00 55.06 55.24 2gll s HIS 128 Cb -0.05 -0.57 0.06 0.00 -1.18 0.00 0.00 32.58 30.85 2gll s HIS 128 CO -0.05 -0.46 0.05 0.15 -0.65 0.00 0.00 174.74 173.78 2gll s LYS 129 N 2.19 0.52 7.33 2.88 -0.14 -0.75 -5.03 119.74 126.73 2gll s LYS 129 Ca 0.03 -0.38 0.00 0.00 -1.36 0.00 0.00 55.97 54.26 2gll s LYS 129 Cb -0.15 -2.03 0.00 0.00 -1.68 0.00 0.00 37.83 33.97 2gll s LYS 129 CO -0.08 -0.67 0.00 0.41 -0.76 0.00 0.00 175.35 174.24 2gll n GLY 130 N 5.09 2.63 0.52 -3.33 0.00 -1.26 -2.05 105.19 106.79 2gll n GLY 130 Ca -0.08 -0.29 0.07 0.00 0.00 0.00 0.00 46.02 45.72 2gll n GLY 130 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2gll n MET 131 N 13.42 1.66 -3.84 1.61 0.00 -1.26 -4.83 117.12 123.88 2gll n MET 131 Ca 0.00 -1.02 -0.36 0.00 0.00 0.00 0.00 57.70 56.32 2gll n MET 131 Cb 0.00 -1.29 -0.12 0.00 0.00 0.00 0.00 33.22 31.81 2gll n MET 131 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2gll s ILE 132 N -1.69 4.41 -0.11 3.17 1.01 -0.87 0.80 121.20 127.92 2gll s ILE 132 Ca 0.25 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.77 2gll s ILE 132 Cb 0.13 -3.04 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 2gll s ILE 132 CO 0.19 0.37 -0.17 0.26 0.00 0.00 0.00 174.94 175.58 2gll s TRP 133 N 1.31 2.70 -0.19 3.97 0.52 0.70 -1.82 118.94 126.13 2gll s TRP 133 Ca 0.05 -0.73 -0.01 0.00 0.02 0.00 0.00 56.10 55.43 2gll s TRP 133 Cb -0.15 -1.77 0.01 0.00 -1.15 0.00 0.00 33.47 30.41 2gll s TRP 133 CO 0.03 -0.24 -0.13 -1.14 0.02 0.00 0.00 176.95 175.49 2gll s GLN 134 N 0.22 3.18 0.10 4.98 0.74 0.75 0.20 119.66 129.82 2gll s GLN 134 Ca -0.11 -0.74 0.07 0.00 0.05 0.00 0.00 55.36 54.64 2gll s GLN 134 Cb -0.16 -2.75 -0.03 0.00 1.10 0.00 0.00 33.01 31.17 2gll s GLN 134 CO 0.06 -0.16 -0.18 0.08 -0.55 0.00 0.00 175.29 174.53 2gll s VAL 135 N 1.27 1.55 0.16 1.34 1.01 0.16 0.16 120.40 126.05 2gll s VAL 135 Ca 0.03 -1.54 -0.11 0.00 0.00 0.00 0.00 61.98 60.36 2gll s VAL 135 Cb -0.14 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.78 2gll s VAL 135 CO -0.07 -0.16 0.33 -0.83 0.00 0.00 0.00 175.10 174.38 2gll s GLY 136 N -1.99 0.24 0.00 4.51 0.00 -0.74 0.82 107.32 110.16 2gll s GLY 136 Ca 0.06 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.14 2gll s GLY 136 CO 0.04 -0.67 0.00 0.61 0.00 0.00 0.00 173.10 173.08 2gll n GLY 137 N -0.22 -0.51 3.17 0.20 0.00 -0.56 -1.02 105.19 106.25 2gll n GLY 137 Ca -0.10 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 2gll n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gll s THR 138 N -3.71 0.09 -0.12 2.61 -4.23 0.27 -1.65 115.64 108.90 2gll s THR 138 Ca 0.00 -1.88 -0.01 0.00 -1.18 0.00 0.00 61.69 58.62 2gll s THR 138 Cb 0.00 -2.08 -0.02 0.00 1.34 0.00 0.00 72.50 71.74 2gll s THR 138 CO 0.00 -0.40 -0.10 0.00 -0.54 0.00 0.00 174.62 173.58 2gll s ALA 139 N -4.05 2.77 0.05 3.99 0.00 0.25 0.29 121.76 125.06 2gll s ALA 139 Ca 0.25 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.38 2gll s ALA 139 Cb 0.07 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.89 2gll s ALA 139 CO 0.03 0.32 -0.14 -0.65 0.00 0.00 0.00 175.76 175.32 2gll s GLN 140 N 0.08 0.84 -0.12 0.00 -0.21 0.15 0.38 119.66 120.79 2gll s GLN 140 Ca -0.04 -0.84 -0.01 0.00 0.02 0.00 0.00 55.36 54.50 2gll s GLN 140 Cb -0.14 -0.84 0.03 0.00 1.00 0.00 0.00 33.01 33.06 2gll s GLN 140 CO 0.04 0.20 -0.05 0.08 -2.12 0.00 0.00 175.29 173.43 2gll s VAL 141 N -1.06 0.91 -1.37 1.09 1.01 -0.48 -0.38 120.40 120.12 2gll s VAL 141 Ca -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 2gll s VAL 141 Cb -0.09 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.30 2gll s VAL 141 CO 0.02 0.27 0.68 -0.67 0.00 0.00 0.00 175.10 175.40 2gll n ASP 142 N 4.97 -1.53 0.00 3.32 2.03 -1.26 -1.70 116.55 122.38 2gll n ASP 142 Ca -0.11 -0.86 0.00 0.00 0.52 0.00 0.00 54.79 54.34 2gll n ASP 142 Cb 0.49 -3.80 0.00 0.00 -0.72 0.00 0.00 41.12 37.10 2gll n ASP 142 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2gll n GLY 143 N -1.67 2.93 3.79 0.27 0.00 -1.26 -5.00 105.19 104.25 2gll n GLY 143 Ca -0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 2gll n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gll s LYS 144 N 0.00 3.99 -0.15 1.61 1.02 -0.69 -5.03 119.74 120.49 2gll s LYS 144 Ca 0.00 0.20 -0.29 0.00 0.02 0.00 0.00 55.97 55.90 2gll s LYS 144 Cb 0.00 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.96 2gll s LYS 144 CO 0.00 0.50 1.64 0.08 -0.92 0.00 0.00 175.35 176.65 2gll s VAL 145 N -0.36 3.64 -0.15 3.17 1.01 -1.26 -1.39 120.40 125.07 2gll s VAL 145 Ca 0.20 0.75 0.18 0.00 0.00 0.00 0.00 61.98 63.10 2gll s VAL 145 Cb -0.14 -3.59 -0.26 0.00 0.00 0.00 0.00 36.38 32.39 2gll s VAL 145 CO 0.08 -0.19 0.23 0.52 0.00 0.00 0.00 175.10 175.75 2gll n VAL 146 N 6.06 1.16 -3.49 2.92 0.31 0.16 -4.50 118.33 120.95 2gll n VAL 146 Ca 0.18 -0.78 -0.11 0.00 -0.01 0.00 0.00 64.34 63.62 2gll n VAL 146 Cb 0.44 -0.45 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 2gll n VAL 146 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gll s ALA 147 N -2.70 -1.77 0.05 3.52 0.00 -0.90 -0.94 121.76 119.02 2gll s ALA 147 Ca -0.09 0.98 -0.00 0.00 0.00 0.00 0.00 51.96 52.85 2gll s ALA 147 Cb 0.08 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 2gll s ALA 147 CO 0.84 -0.62 -0.04 -1.83 0.00 0.00 0.00 175.76 174.12 2gll s GLU 148 N -2.79 0.58 -0.18 0.00 -1.05 -0.77 0.86 118.70 115.35 2gll s GLU 148 Ca 0.01 -1.11 -0.33 0.00 -0.15 0.00 0.00 54.97 53.39 2gll s GLU 148 Cb -0.01 0.14 0.14 0.00 -0.44 0.00 0.00 34.13 33.96 2gll s GLU 148 CO -0.06 -0.09 1.17 0.00 0.95 0.00 0.00 175.26 177.23 2gll s ALA 149 N -3.39 -2.03 0.02 -0.84 0.00 -0.66 -1.84 121.76 113.02 2gll s ALA 149 Ca 0.03 1.59 0.08 0.00 0.00 0.00 0.00 51.96 53.66 2gll s ALA 149 Cb 0.04 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 2gll s ALA 149 CO -0.08 -0.50 -0.25 -1.21 0.00 0.00 0.00 175.76 173.73 2gll s GLU 150 N -2.04 1.83 0.02 0.00 2.02 0.46 -1.50 118.70 119.49 2gll s GLU 150 Ca 0.07 -0.99 -0.04 0.00 0.02 0.00 0.00 54.97 54.04 2gll s GLU 150 Cb -0.01 -1.89 -0.01 0.00 0.10 0.00 0.00 34.13 32.32 2gll s GLU 150 CO -0.05 0.50 0.05 -0.51 0.02 0.00 0.00 175.26 175.27 2gll s LEU 151 N -0.95 1.94 -0.06 1.80 1.02 0.24 0.08 118.68 122.77 2gll s LEU 151 Ca 0.10 -0.44 0.02 0.00 0.02 0.00 0.00 54.13 53.83 2gll s LEU 151 Cb -0.10 0.39 0.02 0.00 0.02 0.00 0.00 46.19 46.52 2gll s LEU 151 CO 0.01 -0.38 -0.08 -0.75 0.02 0.00 0.00 176.35 175.16 2gll s LYS 152 N -1.80 1.28 0.22 1.70 2.20 -0.28 0.36 119.74 123.43 2gll s LYS 152 Ca -0.12 -0.26 0.06 0.00 -0.36 0.00 0.00 55.97 55.28 2gll s LYS 152 Cb -0.07 -1.14 -0.05 0.00 -1.51 0.00 0.00 37.83 35.07 2gll s LYS 152 CO -0.01 -0.03 -0.07 0.00 -0.36 0.00 0.00 175.35 174.88 2gll s ALA 153 N 0.80 1.95 -0.10 3.13 0.00 0.13 -0.49 121.76 127.19 2gll s ALA 153 Ca -0.13 -1.73 0.04 0.00 0.00 0.00 0.00 51.96 50.14 2gll s ALA 153 Cb -0.15 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.14 2gll s ALA 153 CO 0.02 -0.09 -0.23 1.41 0.00 0.00 0.00 175.76 176.87 2gll s MET 154 N -3.75 2.89 0.04 0.00 1.75 0.23 -0.21 119.30 120.25 2gll s MET 154 Ca 0.25 -0.83 -0.23 0.00 -1.25 0.00 0.00 55.69 53.63 2gll s MET 154 Cb 0.03 -2.20 -0.06 0.00 2.84 0.00 0.00 34.83 35.45 2gll s MET 154 CO 0.08 0.17 0.71 0.42 -0.65 0.00 0.00 175.02 175.74 2gll s ILE 155 N 0.36 4.76 0.33 10.11 -1.09 0.24 -1.54 121.20 134.37 2gll s ILE 155 Ca -0.18 1.51 -0.04 0.00 -2.23 0.00 0.00 60.65 59.70 2gll s ILE 155 Cb -0.18 -4.06 0.00 0.00 -1.58 0.00 0.00 42.46 36.65 2gll s ILE 155 CO 0.08 0.40 0.48 0.00 -1.23 0.00 0.00 174.94 174.67 2gll s ALA 156 N -0.19 0.57 -0.11 9.38 0.00 -0.75 -4.84 121.76 125.82 2gll s ALA 156 Ca 0.36 -1.40 -0.27 0.00 0.00 0.00 0.00 51.96 50.65 2gll s ALA 156 Cb -0.20 1.13 -0.02 0.00 0.00 0.00 0.00 23.12 24.03 2gll s ALA 156 CO 0.21 -0.80 0.89 -1.21 0.00 0.00 0.00 175.76 174.85 2gll s GLU 157 N -3.19 4.39 0.30 0.00 0.41 -1.26 -1.72 118.70 117.63 2gll s GLU 157 Ca 0.29 1.17 -0.29 0.00 -0.41 0.00 0.00 54.97 55.73 2gll s GLU 157 Cb -0.00 -3.53 -0.10 0.00 -1.78 0.00 0.00 34.13 28.71 2gll s GLU 157 CO 0.18 -0.24 1.28 0.50 -0.49 0.00 0.00 175.26 176.49 2gll s ARG 158 N 1.80 4.40 0.00 1.61 3.52 0.36 -4.73 118.95 125.91 2gll s ARG 158 Ca 0.43 2.14 0.00 0.00 -0.13 0.00 0.00 55.73 58.17 2gll s ARG 158 Cb -0.18 -3.11 0.00 0.00 -1.56 0.00 0.00 34.95 30.11 2gll s ARG 158 CO 0.17 -0.15 0.40 -0.85 -0.81 0.00 0.00 175.30 174.06