#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gll n GLN 9 N 0.00 -3.19 0.00 1.96 1.13 -1.26 -4.98 117.38 111.04 2gll n GLN 9 Ca 0.00 -1.54 0.00 0.00 -1.94 0.00 0.00 57.00 53.52 2gll n GLN 9 Cb 0.00 -1.51 0.00 0.00 0.11 0.00 0.00 30.24 28.84 2gll n GLN 9 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2gll n SER 10 N -4.82 0.89 -4.02 1.08 7.64 -1.26 -4.78 113.62 108.35 2gll n SER 10 Ca 0.13 -0.96 -0.23 0.00 1.01 0.00 0.00 58.87 58.82 2gll n SER 10 Cb 0.53 0.09 -0.16 0.00 -1.01 0.00 0.00 64.21 63.65 2gll n SER 10 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2gll s GLN 11 N -0.09 1.49 0.01 1.43 -0.21 -1.26 -2.42 119.66 118.61 2gll s GLN 11 Ca 0.00 -0.38 0.01 0.00 0.02 0.00 0.00 55.36 55.01 2gll s GLN 11 Cb 0.00 -1.27 -0.01 0.00 1.00 0.00 0.00 33.01 32.73 2gll s GLN 11 CO 0.00 0.06 -0.04 -0.06 -2.12 0.00 0.00 175.29 173.13 2gll s PHE 12 N 0.53 0.34 0.44 0.91 0.40 -0.51 -4.99 117.98 115.09 2gll s PHE 12 Ca -0.11 -0.20 0.08 0.00 -0.60 0.00 0.00 56.93 56.10 2gll s PHE 12 Cb -0.14 -0.21 -0.01 0.00 0.51 0.00 0.00 43.02 43.17 2gll s PHE 12 CO 0.03 -0.05 0.43 -0.06 0.70 0.00 0.00 175.22 176.27 2gll s PHE 13 N -0.50 2.55 0.55 0.36 0.40 -1.26 -0.62 117.98 119.45 2gll s PHE 13 Ca -0.03 -0.53 0.36 0.00 -0.60 0.00 0.00 56.93 56.13 2gll s PHE 13 Cb -0.04 -2.18 1.53 0.00 0.51 0.00 0.00 43.02 42.84 2gll s PHE 13 CO -0.00 -0.25 1.81 0.97 0.70 0.00 0.00 175.22 178.45 2gll h ILE 14 N 0.91 0.41 -0.79 0.64 6.09 -1.91 0.33 117.51 123.19 2gll h ILE 14 Ca -0.40 0.00 -0.05 0.00 -1.37 0.00 0.00 64.86 63.04 2gll h ILE 14 Cb 1.27 0.43 -0.03 0.00 0.47 0.00 0.00 36.82 38.95 2gll h ILE 14 CO 0.55 0.00 0.31 -0.33 -3.07 0.00 0.00 178.15 175.61 2gll h GLU 15 N 0.00 1.18 0.07 2.19 4.39 -1.94 -1.68 114.58 118.78 2gll h GLU 15 Ca 0.53 -0.21 -0.28 0.00 0.34 0.00 0.00 59.36 59.74 2gll h GLU 15 Cb 2.17 -0.19 0.03 0.00 -0.10 0.00 0.00 28.75 30.65 2gll h GLU 15 CO -0.01 0.95 -1.13 0.45 -1.16 0.00 0.00 179.01 178.11 2gll h HIS 16 N 1.15 1.01 -0.74 4.33 3.86 -0.74 -3.13 115.15 120.89 2gll h HIS 16 Ca 0.26 -0.60 0.04 0.00 -1.16 0.00 0.00 60.37 58.91 2gll h HIS 16 Cb 0.21 -0.10 -0.05 0.00 1.06 0.00 0.00 27.41 28.54 2gll h HIS 16 CO 0.02 1.44 0.46 0.82 0.86 0.00 0.00 177.93 181.52 2gll h ILE 17 N 0.29 1.08 0.00 2.45 2.04 -1.27 -1.39 117.51 120.71 2gll h ILE 17 Ca -0.16 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 2gll h ILE 17 Cb 1.80 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 38.00 2gll h ILE 17 CO 0.22 0.16 -0.12 -0.07 0.00 0.00 0.00 178.15 178.34 2gll h LEU 18 N 0.88 0.00 0.00 1.44 3.38 -1.35 0.19 115.31 119.85 2gll h LEU 18 Ca 0.30 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.18 2gll h LEU 18 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2gll h LEU 18 CO -0.12 0.12 -0.47 1.56 0.09 0.00 0.00 178.44 179.61 2gll h GLN 19 N 0.00 0.00 0.00 1.13 4.20 -1.22 -3.38 115.11 115.84 2gll h GLN 19 Ca -0.00 0.00 -0.39 0.00 0.06 0.00 0.00 58.65 58.32 2gll h GLN 19 Cb 0.20 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.93 2gll h GLN 19 CO 0.01 0.40 -2.16 -0.89 -0.67 0.00 0.00 178.83 175.52 2gll n ILE 20 N -3.18 1.53 -3.02 2.54 2.08 -0.82 -4.56 119.36 113.93 2gll n ILE 20 Ca 0.02 -0.27 -0.34 0.00 0.56 0.00 0.00 62.75 62.71 2gll n ILE 20 Cb 0.70 -1.94 -0.06 0.00 -0.75 0.00 0.00 39.64 37.59 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 -7.62 4.16 0.25 1.39 1.43 0.63 -4.72 118.68 114.19 2gll s LEU 21 Ca -0.36 1.47 0.23 0.00 -1.03 0.00 0.00 54.13 54.45 2gll s LEU 21 Cb 0.12 -4.02 0.19 0.00 0.03 0.00 0.00 46.19 42.52 2gll s LEU 21 CO 0.51 -0.15 1.28 1.55 0.23 0.00 0.00 176.35 179.77 2gll h PRO 22 N 2.65 0.00 -6.87 1.29 0.13 -1.86 -3.43 132.00 123.91 2gll h PRO 22 Ca -0.48 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.09 2gll h PRO 22 Cb 1.18 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.44 2gll h PRO 22 CO 0.64 0.00 0.50 0.72 -0.23 0.00 0.00 178.00 179.64 2gll n HIS 23 N -2.67 2.13 -4.31 1.56 8.25 -1.26 -5.03 115.22 113.89 2gll n HIS 23 Ca 0.02 0.48 -0.19 0.00 -0.26 0.00 0.00 57.72 57.77 2gll n HIS 23 Cb 0.52 -2.37 -0.09 0.00 1.12 0.00 0.00 29.99 29.17 2gll n HIS 23 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2gll s ARG 24 N -2.35 1.67 0.30 -0.41 1.81 -1.26 -4.69 118.95 114.02 2gll s ARG 24 Ca 0.63 -1.97 -0.30 0.00 -1.72 0.00 0.00 55.73 52.38 2gll s ARG 24 Cb -0.48 0.13 -0.12 0.00 -0.45 0.00 0.00 34.95 34.02 2gll s ARG 24 CO 0.56 -0.56 1.54 0.98 -0.68 0.00 0.00 175.30 177.14 2gll n TYR 25 N -0.60 2.75 -1.63 -0.53 9.36 -1.26 0.10 117.16 125.35 2gll n TYR 25 Ca 0.04 0.32 -0.35 0.00 3.32 0.00 0.00 57.90 61.24 2gll n TYR 25 Cb 0.64 -2.56 0.06 0.00 -0.63 0.00 0.00 39.34 36.85 2gll n TYR 25 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2gll n PRO 26 N 1.79 2.85 -0.05 2.98 -0.04 -1.26 -4.93 135.00 136.35 2gll n PRO 26 Ca 0.08 -3.52 0.02 0.00 -0.04 0.00 0.00 63.50 60.04 2gll n PRO 26 Cb 0.36 -2.28 0.03 0.00 -0.04 0.00 0.00 33.50 31.57 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 -0.77 1.88 -3.30 0.54 2.81 0.28 -4.94 117.12 113.62 2gll n MET 27 Ca 0.57 -1.52 -0.45 0.00 -1.81 0.00 0.00 57.70 54.49 2gll n MET 27 Cb 0.58 -0.98 -0.07 0.00 -0.71 0.00 0.00 33.22 32.04 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 -1.16 5.59 -0.40 4.03 2.96 -0.95 -4.63 118.68 124.12 2gll s LEU 28 Ca 0.07 -1.35 0.05 0.00 -0.22 0.00 0.00 54.13 52.69 2gll s LEU 28 Cb 0.06 -2.25 0.54 0.00 0.50 0.00 0.00 46.19 45.04 2gll s LEU 28 CO 0.01 -0.78 1.66 0.18 -1.32 0.00 0.00 176.35 176.10 2gll n LEU 29 N 5.50 5.54 -3.84 -0.68 4.77 -1.26 -4.90 117.00 122.12 2gll n LEU 29 Ca -0.11 -3.94 -0.23 0.00 -0.03 0.00 0.00 56.01 51.70 2gll n LEU 29 Cb 0.43 -0.72 -0.17 0.00 -2.33 0.00 0.00 43.42 40.63 2gll n LEU 29 CO 0.51 1.34 -0.40 -0.69 -1.33 0.00 0.00 177.39 176.82 2gll s VAL 30 N -3.68 0.57 -0.20 4.08 1.01 -1.26 -4.60 120.40 116.32 2gll s VAL 30 Ca 0.52 -0.05 0.17 0.00 0.00 0.00 0.00 61.98 62.63 2gll s VAL 30 Cb 0.45 -0.65 -0.25 0.00 0.00 0.00 0.00 36.38 35.93 2gll s VAL 30 CO 0.03 0.27 0.06 0.47 0.00 0.00 0.00 175.10 175.93 2gll n ASP 31 N 4.72 0.11 -3.56 3.32 8.00 -0.28 -4.95 116.55 123.91 2gll n ASP 31 Ca -0.14 -0.01 -0.17 0.00 0.71 0.00 0.00 54.79 55.18 2gll n ASP 31 Cb 0.50 0.94 -0.06 0.00 -0.02 0.00 0.00 41.12 42.48 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 -2.49 0.99 -0.24 -1.24 3.52 -1.04 -3.19 118.95 115.26 2gll s ARG 32 Ca -0.11 0.43 -0.05 0.00 -0.13 0.00 0.00 55.73 55.87 2gll s ARG 32 Cb 0.06 0.47 -0.02 0.00 -1.56 0.00 0.00 34.95 33.90 2gll s ARG 32 CO 0.82 -0.27 0.01 0.42 -0.81 0.00 0.00 175.30 175.47 2gll s ILE 33 N -0.79 3.80 -0.13 4.11 -1.09 0.21 -1.35 121.20 125.96 2gll s ILE 33 Ca -0.08 -0.38 0.19 0.00 -2.23 0.00 0.00 60.65 58.15 2gll s ILE 33 Cb -0.01 -2.77 -0.24 0.00 -1.58 0.00 0.00 42.46 37.86 2gll s ILE 33 CO 0.08 0.36 0.42 0.35 -1.23 0.00 0.00 174.94 174.92 2gll n THR 34 N 4.85 0.98 -3.78 2.92 -2.24 0.57 -1.43 114.28 116.15 2gll n THR 34 Ca -0.17 -0.71 -0.13 0.00 -2.27 0.00 0.00 64.05 60.77 2gll n THR 34 Cb 0.51 -0.44 -0.11 0.00 -2.10 0.00 0.00 70.33 68.18 2gll n THR 34 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2gll s GLU 35 N -2.89 0.34 -0.18 -0.78 2.12 -0.73 -4.52 118.70 112.06 2gll s GLU 35 Ca -0.07 0.32 -0.06 0.00 0.36 0.00 0.00 54.97 55.52 2gll s GLU 35 Cb 0.09 0.16 0.09 0.00 0.26 0.00 0.00 34.13 34.73 2gll s GLU 35 CO 0.84 -0.05 0.37 -1.17 -0.54 0.00 0.00 175.26 174.72 2gll s LEU 36 N 0.01 -0.54 -0.28 2.70 2.96 -1.10 -0.63 118.68 121.81 2gll s LEU 36 Ca -0.01 0.79 0.01 0.00 -0.22 0.00 0.00 54.13 54.70 2gll s LEU 36 Cb -0.02 1.13 0.06 0.00 0.50 0.00 0.00 46.19 47.86 2gll s LEU 36 CO 0.01 -0.24 -0.07 -1.58 -1.32 0.00 0.00 176.35 173.15 2gll s GLN 37 N 2.55 2.31 0.12 1.98 2.00 0.15 -4.65 119.66 124.12 2gll s GLN 37 Ca 0.01 -1.32 -0.35 0.00 -2.00 0.00 0.00 55.36 51.69 2gll s GLN 37 Cb -0.12 -3.00 -0.16 0.00 0.80 0.00 0.00 33.01 30.52 2gll s GLN 37 CO -0.12 -0.59 1.29 0.00 -0.50 0.00 0.00 175.29 175.37 2gll n ALA 38 N 4.50 -0.83 -0.67 1.58 0.00 -1.26 -0.59 120.51 123.24 2gll n ALA 38 Ca -0.14 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2gll n ALA 38 Cb 0.43 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.81 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 2.38 -1.15 0.01 0.00 4.13 -1.26 -4.71 115.26 114.66 2gll n ASN 39 Ca 0.17 0.00 -0.00 0.00 1.68 0.00 0.00 54.58 56.43 2gll n ASN 39 Cb 0.21 -2.26 -0.00 0.00 -1.54 0.00 0.00 39.78 36.19 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 -1.52 0.02 -3.87 3.52 6.02 0.24 -4.65 117.38 117.15 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 0.09 -0.25 -0.02 0.00 1.02 0.00 0.00 30.24 31.07 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 -1.38 1.78 -0.07 -1.09 -2.85 -0.55 0.05 119.74 115.62 2gll s LYS 41 Ca -0.01 -1.04 -0.10 0.00 -1.00 0.00 0.00 55.97 53.82 2gll s LYS 41 Cb 0.00 0.60 0.02 0.00 -2.06 0.00 0.00 37.83 36.39 2gll s LYS 41 CO 0.02 -0.81 0.25 -1.50 0.10 0.00 0.00 175.35 173.41 2gll s ILE 42 N -3.86 0.02 -0.13 3.79 2.07 -0.64 0.29 121.20 122.75 2gll s ILE 42 Ca 0.12 -0.17 -0.00 0.00 -1.41 0.00 0.00 60.65 59.19 2gll s ILE 42 Cb -0.05 -0.42 0.03 0.00 0.13 0.00 0.00 42.46 42.15 2gll s ILE 42 CO 0.07 -0.09 -0.08 -0.69 -1.91 0.00 0.00 174.94 172.24 2gll s VAL 43 N -0.30 1.09 0.33 4.00 1.01 0.20 -2.03 120.40 124.70 2gll s VAL 43 Ca -0.04 -0.39 0.07 0.00 0.00 0.00 0.00 61.98 61.62 2gll s VAL 43 Cb -0.03 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 2gll s VAL 43 CO 0.01 0.33 0.26 0.00 0.00 0.00 0.00 175.10 175.70 2gll n ALA 44 N 4.91 0.69 -3.43 5.51 0.00 -0.56 -0.32 120.51 127.32 2gll n ALA 44 Ca -0.13 -1.91 -0.11 0.00 0.00 0.00 0.00 53.44 51.29 2gll n ALA 44 Cb 0.50 1.53 -0.03 0.00 0.00 0.00 0.00 19.45 21.45 2gll n ALA 44 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2gll s TYR 45 N -3.30 -0.39 -0.06 0.00 1.13 -0.46 0.13 117.35 114.40 2gll s TYR 45 Ca 0.37 0.11 0.01 0.00 -1.41 0.00 0.00 57.07 56.16 2gll s TYR 45 Cb 0.02 0.53 0.02 0.00 -1.10 0.00 0.00 41.96 41.43 2gll s TYR 45 CO 0.26 -0.91 -0.08 0.21 -2.51 0.00 0.00 175.55 172.53 2gll s LYS 46 N -3.80 1.30 0.31 -3.49 2.20 0.18 -1.12 119.74 115.31 2gll s LYS 46 Ca 0.04 -0.25 -0.28 0.00 -0.36 0.00 0.00 55.97 55.12 2gll s LYS 46 Cb -0.02 -1.20 -0.09 0.00 -1.51 0.00 0.00 37.83 35.01 2gll s LYS 46 CO -0.08 -0.07 1.07 -0.80 -0.36 0.00 0.00 175.35 175.11 2gll s ASN 47 N 0.97 7.18 -0.20 1.43 0.01 -1.26 -1.47 114.94 121.59 2gll s ASN 47 Ca -0.10 2.18 -0.04 0.00 -0.71 0.00 0.00 52.86 54.19 2gll s ASN 47 Cb -0.15 -2.61 -0.02 0.00 0.41 0.00 0.00 41.25 38.88 2gll s ASN 47 CO 0.00 -0.20 -0.03 -0.63 -1.51 0.00 0.00 177.10 174.73 2gll s ILE 48 N -1.29 3.65 0.07 0.60 -1.09 -0.33 -4.92 121.20 117.89 2gll s ILE 48 Ca 0.47 -0.42 0.02 0.00 -2.23 0.00 0.00 60.65 58.50 2gll s ILE 48 Cb -0.29 -2.64 -0.03 0.00 -1.58 0.00 0.00 42.46 37.92 2gll s ILE 48 CO 0.37 0.44 -0.08 0.28 -1.23 0.00 0.00 174.94 174.72 2gll s THR 49 N 1.04 0.66 0.42 2.92 -1.32 -1.26 -0.73 115.64 117.37 2gll s THR 49 Ca 0.01 -1.48 0.13 0.00 -1.21 0.00 0.00 61.69 59.14 2gll s THR 49 Cb -0.15 -1.13 0.16 0.00 -1.51 0.00 0.00 72.50 69.88 2gll s THR 49 CO 0.01 -0.59 1.94 0.15 -2.21 0.00 0.00 174.62 173.92 2gll h PHE 50 N 3.79 0.05 0.00 9.09 3.57 -1.96 -3.25 116.94 128.23 2gll h PHE 50 Ca -0.36 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.14 2gll h PHE 50 Cb 1.19 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.91 2gll h PHE 50 CO 0.62 0.26 0.00 -1.71 -2.23 0.00 0.00 178.31 175.25 2gll n ASN 51 N -4.27 1.46 -4.21 0.41 4.05 -1.26 -4.73 115.26 106.71 2gll n ASN 51 Ca -0.02 -1.20 -0.30 0.00 0.45 0.00 0.00 54.58 53.51 2gll n ASN 51 Cb 0.28 -0.30 -0.17 0.00 1.23 0.00 0.00 39.78 40.83 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 1.17 2.52 0.48 1.20 2.02 -1.23 -5.02 118.70 119.84 2gll s GLU 52 Ca 0.00 -0.81 0.24 0.00 0.02 0.00 0.00 54.97 54.41 2gll s GLU 52 Cb 0.00 -2.05 1.27 0.00 0.10 0.00 0.00 34.13 33.45 2gll s GLU 52 CO 0.00 0.27 1.89 0.22 0.02 0.00 0.00 175.26 177.66 2gll h ASP 53 N 6.36 0.21 -0.82 -0.19 -0.00 -1.94 -1.81 116.42 118.23 2gll h ASP 53 Ca -0.28 0.02 0.15 0.00 -0.00 0.00 0.00 57.03 56.92 2gll h ASP 53 Cb 1.20 -0.02 -0.06 0.00 -0.00 0.00 0.00 39.33 40.45 2gll h ASP 53 CO 0.47 0.08 0.54 1.62 -0.00 0.00 0.00 179.24 181.95 2gll h VAL 54 N 0.21 0.81 0.00 2.25 3.04 -1.95 -1.47 116.25 119.14 2gll h VAL 54 Ca 0.43 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.93 2gll h VAL 54 Cb 1.34 0.22 0.00 0.00 -2.01 0.00 0.00 31.29 30.84 2gll h VAL 54 CO -0.09 0.10 0.00 -0.26 -1.01 0.00 0.00 177.57 176.31 2gll h PHE 55 N 0.55 0.00 -0.58 3.17 -1.00 -1.59 -2.59 116.94 114.89 2gll h PHE 55 Ca 0.41 0.00 0.09 0.00 2.81 0.00 0.00 57.97 61.28 2gll h PHE 55 Cb 0.79 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.31 2gll h PHE 55 CO -0.00 0.00 0.39 -0.91 -1.61 0.00 0.00 178.31 176.18 2gll h ASN 56 N 0.00 0.36 -0.09 2.17 2.35 -1.42 -3.06 115.58 115.89 2gll h ASN 56 Ca 0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2gll h ASN 56 Cb 0.52 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.83 2gll h ASN 56 CO 0.00 0.22 0.00 0.61 -1.65 0.00 0.00 177.43 176.61 2gll n GLY 57 N -1.52 2.04 2.45 2.83 0.00 -1.02 -4.28 105.19 105.68 2gll n GLY 57 Ca 0.09 -0.12 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.09 -1.69 -4.32 1.61 -0.00 -1.01 -4.65 115.22 105.07 2gll n HIS 58 Ca 0.03 -2.77 -0.17 0.00 -0.00 0.00 0.00 57.72 54.82 2gll n HIS 58 Cb 0.26 0.50 -0.10 0.00 -0.00 0.00 0.00 29.99 30.65 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 -0.16 1.53 0.19 1.57 0.08 0.62 -1.14 117.98 120.66 2gll s PHE 59 Ca 0.33 -1.02 -0.32 0.00 0.12 0.00 0.00 56.93 56.04 2gll s PHE 59 Cb 0.13 -0.90 -0.12 0.00 -0.57 0.00 0.00 43.02 41.56 2gll s PHE 59 CO -0.16 -0.15 1.74 -2.30 -0.10 0.00 0.00 175.22 174.25 2gll n PRO 60 N -0.42 2.74 0.00 0.24 -0.02 -1.26 -1.44 135.00 134.83 2gll n PRO 60 Ca -0.04 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 2gll n PRO 60 Cb 0.65 -2.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 2gll n PRO 60 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2gll n ASN 61 N 4.26 0.00 -3.46 2.55 5.03 -1.26 -4.85 115.26 117.53 2gll n ASN 61 Ca 0.16 0.00 -0.28 0.00 0.87 0.00 0.00 54.58 55.34 2gll n ASN 61 Cb 0.35 -0.36 -0.11 0.00 -1.02 0.00 0.00 39.78 38.65 2gll n ASN 61 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 2gll s LYS 62 N 0.00 0.99 -0.24 3.52 2.36 -0.52 -5.11 119.74 120.74 2gll s LYS 62 Ca 0.00 -2.06 -0.29 0.00 -2.55 0.00 0.00 55.97 51.07 2gll s LYS 62 Cb 0.00 -1.60 -0.02 0.00 -1.05 0.00 0.00 37.83 35.16 2gll s LYS 62 CO 0.00 -1.34 1.52 -1.25 1.55 0.00 0.00 175.35 175.83 2gll s PRO 63 N 0.13 3.85 -0.08 4.03 0.04 -1.22 -0.28 135.00 141.48 2gll s PRO 63 Ca 0.29 1.55 0.02 0.00 0.04 0.00 0.00 61.00 62.90 2gll s PRO 63 Cb -0.03 -3.98 0.01 0.00 0.04 0.00 0.00 34.50 30.54 2gll s PRO 63 CO -0.15 -1.22 -0.13 0.42 0.04 0.00 0.00 177.00 175.96 2gll s ILE 64 N 4.90 1.22 -0.17 0.56 -1.09 -0.29 -4.48 121.20 121.84 2gll s ILE 64 Ca 0.67 -0.51 -0.29 0.00 -2.23 0.00 0.00 60.65 58.28 2gll s ILE 64 Cb -0.23 -1.11 -0.01 0.00 -1.58 0.00 0.00 42.46 39.53 2gll s ILE 64 CO 0.27 0.38 1.22 0.12 -1.23 0.00 0.00 174.94 175.70 2gll s PHE 65 N 0.76 2.95 -0.19 3.97 5.36 -0.01 -4.54 117.98 126.29 2gll s PHE 65 Ca -0.12 1.10 -0.41 0.00 -0.96 0.00 0.00 56.93 56.54 2gll s PHE 65 Cb -0.16 -3.46 -0.18 0.00 -0.34 0.00 0.00 43.02 38.89 2gll s PHE 65 CO 0.03 -1.47 1.50 -2.30 -1.46 0.00 0.00 175.22 171.52 2gll n PRO 66 N 6.46 0.72 -0.32 10.12 -0.02 -1.26 -4.59 135.00 146.11 2gll n PRO 66 Ca 0.13 0.26 0.11 0.00 -2.02 0.00 0.00 63.50 61.98 2gll n PRO 66 Cb 0.45 -1.86 0.32 0.00 -0.02 0.00 0.00 33.50 32.39 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 5.38 1.45 2.00 -1.23 0.00 -1.99 0.01 103.07 108.70 2gll h GLY 67 Ca -0.47 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 46.46 2gll h GLY 67 CO 0.87 0.09 -0.21 -0.39 0.00 0.00 0.00 176.54 176.89 2gll h VAL 68 N 0.81 1.07 0.00 4.60 -1.51 -2.00 -1.51 116.25 117.71 2gll h VAL 68 Ca 0.49 -0.74 -0.12 0.00 -1.23 0.00 0.00 66.70 65.10 2gll h VAL 68 Cb 0.69 1.41 -0.02 0.00 -2.13 0.00 0.00 31.29 31.24 2gll h VAL 68 CO -0.26 0.21 -0.57 -0.07 -1.23 0.00 0.00 177.57 175.65 2gll h LEU 69 N 0.00 0.00 -0.40 4.19 3.38 -1.36 -1.69 115.31 119.42 2gll h LEU 69 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2gll h LEU 69 Cb 0.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2gll h LEU 69 CO 0.03 0.57 0.15 0.40 0.09 0.00 0.00 178.44 179.68 2gll h ILE 70 N 0.00 1.20 -0.64 1.22 2.04 -0.84 -0.12 117.51 120.37 2gll h ILE 70 Ca -0.01 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 2gll h ILE 70 Cb 1.23 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 2gll h ILE 70 CO 0.07 0.23 0.36 0.58 0.00 0.00 0.00 178.15 179.39 2gll h VAL 71 N 0.50 1.20 -0.47 1.67 2.07 -1.28 -1.45 116.25 118.49 2gll h VAL 71 Ca 0.13 -0.50 0.02 0.00 0.82 0.00 0.00 66.70 67.17 2gll h VAL 71 Cb 0.22 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 2gll h VAL 71 CO -0.01 0.22 0.28 -0.08 0.02 0.00 0.00 177.57 178.00 2gll h GLU 72 N 0.87 0.55 -0.44 1.57 4.57 -0.91 0.15 114.58 120.94 2gll h GLU 72 Ca 0.23 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.34 2gll h GLU 72 Cb 0.03 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 2gll h GLU 72 CO -0.04 0.37 0.15 0.78 -1.18 0.00 0.00 179.01 179.09 2gll h GLY 73 N 0.57 0.69 0.92 1.92 0.00 -0.67 0.78 103.07 107.28 2gll h GLY 73 Ca 0.19 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 47.10 2gll h GLY 73 CO -0.08 0.33 -0.07 -0.33 0.00 0.00 0.00 176.54 176.38 2gll h MET 74 N 0.63 0.65 -0.54 4.80 2.86 -0.18 -1.84 114.93 121.32 2gll h MET 74 Ca 0.15 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 2gll h MET 74 Cb 0.17 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 2gll h MET 74 CO -0.01 0.81 0.26 0.00 1.06 0.00 0.00 176.91 179.03 2gll h ALA 75 N 0.81 0.69 -0.65 6.32 0.00 0.03 -1.02 119.26 125.45 2gll h ALA 75 Ca 0.09 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2gll h ALA 75 Cb 0.57 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2gll h ALA 75 CO 0.03 0.25 0.26 1.96 0.00 0.00 0.00 179.25 181.75 2gll h GLN 76 N 0.72 0.96 -0.33 0.00 4.20 -0.80 0.18 115.11 120.03 2gll h GLN 76 Ca 0.18 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 2gll h GLN 76 Cb 0.11 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2gll h GLN 76 CO -0.02 0.78 0.10 0.77 -0.67 0.00 0.00 178.83 179.79 2gll h SER 77 N 0.94 0.47 -0.65 1.46 0.02 -0.97 -1.77 113.55 113.06 2gll h SER 77 Ca 0.22 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 2gll h SER 77 Cb 0.19 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 2gll h SER 77 CO -0.02 0.55 0.27 1.23 -1.14 0.00 0.00 176.83 177.72 2gll h GLY 78 N 0.37 1.06 1.20 -3.77 0.00 -0.66 -1.97 103.07 99.29 2gll h GLY 78 Ca 0.11 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 2gll h GLY 78 CO -0.00 0.53 0.27 -1.33 0.00 0.00 0.00 176.54 176.00 2gll h GLY 79 N 1.05 1.10 0.98 4.60 0.00 -0.34 0.13 103.07 110.59 2gll h GLY 79 Ca 0.23 -0.59 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 2gll h GLY 79 CO -0.02 0.55 0.06 -2.75 0.00 0.00 0.00 176.54 174.38 2gll h PHE 80 N 1.00 0.85 -0.43 5.60 3.57 -0.91 -1.51 116.94 125.11 2gll h PHE 80 Ca 0.23 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 2gll h PHE 80 Cb 0.20 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 2gll h PHE 80 CO 0.02 0.80 0.20 1.25 -2.23 0.00 0.00 178.31 178.34 2gll h LEU 81 N 0.66 0.57 0.04 0.59 5.85 -0.83 -1.94 115.31 120.26 2gll h LEU 81 Ca 0.14 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2gll h LEU 81 Cb 0.42 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2gll h LEU 81 CO 0.01 0.55 -0.02 0.00 -0.34 0.00 0.00 178.44 178.65 2gll h ALA 82 N 1.05 -0.05 0.04 1.25 0.00 -0.57 -1.19 119.26 119.79 2gll h ALA 82 Ca 0.15 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2gll h ALA 82 Cb 0.14 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2gll h ALA 82 CO -0.02 -0.50 -0.02 0.35 0.00 0.00 0.00 179.25 179.06 2gll h PHE 83 N -0.11 -0.05 0.00 0.00 3.57 -1.21 -2.72 116.94 116.42 2gll h PHE 83 Ca -0.01 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2gll h PHE 83 Cb 0.10 0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.85 2gll h PHE 83 CO -0.06 0.02 0.00 1.79 -2.23 0.00 0.00 178.31 177.83 2gll h THR 84 N -0.11 0.00 0.00 4.41 1.35 -1.37 -1.35 112.91 115.83 2gll h THR 84 Ca -0.01 -0.33 -0.02 0.00 -0.55 0.00 0.00 66.41 65.51 2gll h THR 84 Cb 0.10 1.15 -0.00 0.00 -1.73 0.00 0.00 68.15 67.67 2gll h THR 84 CO 0.01 0.00 -0.08 0.28 -0.25 0.00 0.00 175.52 175.48 2gll h SER 85 N 0.00 0.00 0.00 5.36 0.02 -0.88 -1.68 113.55 116.36 2gll h SER 85 Ca 0.00 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.63 2gll h SER 85 Cb 0.47 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.96 2gll h SER 85 CO 0.00 0.08 -2.14 0.18 -1.14 0.00 0.00 176.83 173.81 2gll n LEU 86 N -3.17 2.28 -0.44 5.07 4.77 -0.94 -4.74 117.00 119.82 2gll n LEU 86 Ca 0.01 0.06 0.05 0.00 -0.03 0.00 0.00 56.01 56.11 2gll n LEU 86 Cb 0.41 -0.65 0.06 0.00 -2.33 0.00 0.00 43.42 40.91 2gll n LEU 86 CO 0.31 0.65 0.44 0.79 -1.33 0.00 0.00 177.39 178.25 2gll n TRP 87 N -3.47 0.06 -4.65 -1.77 8.01 -0.55 -5.11 117.44 109.97 2gll n TRP 87 Ca -0.38 -0.07 0.00 0.00 -1.31 0.00 0.00 57.50 55.74 2gll n TRP 87 Cb 0.83 -0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.13 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 0.57 -1.03 3.56 6.99 0.00 -0.63 -4.07 105.19 110.58 2gll n GLY 88 Ca 0.07 -1.11 -0.36 0.00 0.00 0.00 0.00 46.02 44.61 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 2.18 -0.48 1.61 5.36 -1.26 -4.40 117.98 120.99 2gll s PHE 89 Ca 0.00 -0.11 0.03 0.00 -0.96 0.00 0.00 56.93 55.88 2gll s PHE 89 Cb 0.00 -4.43 0.14 0.00 -0.34 0.00 0.00 43.02 38.40 2gll s PHE 89 CO 0.00 -1.93 0.29 0.34 -1.46 0.00 0.00 175.22 172.45 2gll s ASP 90 N 6.07 3.57 0.25 6.13 -1.08 -1.26 -5.00 116.67 125.35 2gll s ASP 90 Ca 0.54 -2.86 -0.02 0.00 -0.52 0.00 0.00 52.55 49.68 2gll s ASP 90 Cb -0.04 -1.07 0.49 0.00 -1.46 0.00 0.00 42.92 40.84 2gll s ASP 90 CO -0.01 -0.23 1.76 -0.65 0.52 0.00 0.00 175.17 176.57 2gll h PRO 91 N 6.40 0.59 -0.74 4.34 0.11 -1.90 0.38 132.00 141.19 2gll h PRO 91 Ca 0.04 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 2gll h PRO 91 Cb 0.90 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.84 2gll h PRO 91 CO 0.51 0.39 0.44 0.93 -0.21 0.00 0.00 178.00 180.06 2gll h GLU 92 N 0.61 1.00 0.17 1.05 5.08 -1.95 -1.68 114.58 118.86 2gll h GLU 92 Ca 0.44 -0.09 -0.31 0.00 -1.00 0.00 0.00 59.36 58.40 2gll h GLU 92 Cb 0.59 -0.21 0.03 0.00 0.50 0.00 0.00 28.75 29.66 2gll h GLU 92 CO -0.35 0.71 -1.33 0.82 -1.00 0.00 0.00 179.01 177.86 2gll h ILE 93 N 1.00 1.32 -0.78 3.13 2.04 -1.90 -3.25 117.51 119.07 2gll h ILE 93 Ca 0.26 -2.63 0.17 0.00 1.00 0.00 0.00 64.86 63.66 2gll h ILE 93 Cb -0.03 2.85 -0.05 0.00 -0.74 0.00 0.00 36.82 38.85 2gll h ILE 93 CO -0.05 0.79 0.52 0.00 0.00 0.00 0.00 178.15 179.41 2gll h ALA 94 N 0.30 2.20 0.00 1.87 0.00 -0.69 0.39 119.26 123.32 2gll h ALA 94 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2gll h ALA 94 Cb 2.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.76 2gll h ALA 94 CO 0.25 -0.42 0.00 1.17 0.00 0.00 0.00 179.25 180.25 2gll n LYS 95 N -4.47 0.79 0.00 0.00 4.81 -0.65 -2.57 118.16 116.08 2gll n LYS 95 Ca 0.15 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.62 2gll n LYS 95 Cb 0.59 -1.49 0.01 0.00 0.02 0.00 0.00 35.03 34.16 2gll n LYS 95 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2gll n THR 96 N -0.99 0.00 -4.39 3.15 -2.24 0.14 -4.93 114.28 105.02 2gll n THR 96 Ca 0.19 -0.46 -0.27 0.00 -2.27 0.00 0.00 64.05 61.24 2gll n THR 96 Cb 0.09 1.09 -0.12 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.81 1.41 -0.02 -0.78 3.01 -1.06 -1.08 119.74 120.41 2gll s LYS 97 Ca 0.06 -1.41 -0.00 0.00 -1.01 0.00 0.00 55.97 53.60 2gll s LYS 97 Cb 0.05 -1.77 0.03 0.00 -1.01 0.00 0.00 37.83 35.13 2gll s LYS 97 CO 0.12 0.40 0.04 -1.50 0.51 0.00 0.00 175.35 174.91 2gll s ILE 98 N -1.42 -0.05 -0.19 2.17 -1.16 0.54 -4.73 121.20 116.36 2gll s ILE 98 Ca 0.16 0.18 -0.21 0.00 -0.51 0.00 0.00 60.65 60.28 2gll s ILE 98 Cb -0.09 -0.09 -0.03 0.00 0.61 0.00 0.00 42.46 42.87 2gll s ILE 98 CO 0.07 0.07 0.62 -0.69 -2.81 0.00 0.00 174.94 172.21 2gll s VAL 99 N 0.92 5.04 -0.12 4.00 1.01 -1.26 -0.19 120.40 129.80 2gll s VAL 99 Ca -0.08 1.17 0.01 0.00 0.00 0.00 0.00 61.98 63.09 2gll s VAL 99 Cb -0.11 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 2gll s VAL 99 CO -0.03 0.13 -0.15 -0.47 0.00 0.00 0.00 175.10 174.58 2gll s TYR 100 N 1.76 2.76 -0.18 5.22 5.04 0.36 -4.90 117.35 127.41 2gll s TYR 100 Ca 0.29 -0.70 -0.13 0.00 -2.44 0.00 0.00 57.07 54.08 2gll s TYR 100 Cb -0.16 -1.81 -0.05 0.00 0.35 0.00 0.00 41.96 40.30 2gll s TYR 100 CO 0.11 -0.23 0.28 -0.06 -1.34 0.00 0.00 175.55 174.30 2gll s PHE 101 N 0.30 3.43 -0.15 4.97 0.40 -1.26 0.40 117.98 126.06 2gll s PHE 101 Ca -0.12 0.53 0.00 0.00 -0.60 0.00 0.00 56.93 56.75 2gll s PHE 101 Cb -0.16 -2.34 -0.23 0.00 0.51 0.00 0.00 43.02 40.79 2gll s PHE 101 CO 0.06 0.19 0.25 -1.33 0.70 0.00 0.00 175.22 175.09 2gll n MET 102 N 3.79 0.71 -4.11 0.44 2.81 0.26 -4.94 117.12 116.08 2gll n MET 102 Ca -0.12 0.22 -0.08 0.00 -1.81 0.00 0.00 57.70 55.91 2gll n MET 102 Cb 0.52 -1.66 -0.10 0.00 -0.71 0.00 0.00 33.22 31.26 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 -2.55 0.34 -0.08 2.03 -4.23 -1.11 -4.99 115.64 105.05 2gll s THR 103 Ca -0.22 -1.80 -0.03 0.00 -1.18 0.00 0.00 61.69 58.47 2gll s THR 103 Cb 0.07 -1.50 0.05 0.00 1.34 0.00 0.00 72.50 72.46 2gll s THR 103 CO 0.74 -0.94 0.15 -0.63 -0.54 0.00 0.00 174.62 173.41 2gll s ILE 104 N -3.71 -0.22 0.27 2.99 1.01 -1.26 -1.80 121.20 118.48 2gll s ILE 104 Ca 0.07 0.32 0.03 0.00 0.00 0.00 0.00 60.65 61.07 2gll s ILE 104 Cb 0.06 -0.28 -0.05 0.00 0.01 0.00 0.00 42.46 42.20 2gll s ILE 104 CO -0.08 0.14 0.06 -1.81 0.00 0.00 0.00 174.94 173.24 2gll s ASP 105 N 2.07 1.68 -1.64 3.58 1.11 0.19 -4.89 116.67 118.77 2gll s ASP 105 Ca 0.01 -1.34 -0.09 0.00 0.18 0.00 0.00 52.55 51.31 2gll s ASP 105 Cb -0.12 0.05 0.09 0.00 1.07 0.00 0.00 42.92 44.01 2gll s ASP 105 CO -0.06 -0.64 0.33 0.29 1.18 0.00 0.00 175.17 176.27 2gll n LYS 106 N -0.51 -1.52 -2.95 8.23 5.02 -1.26 -0.82 118.16 124.35 2gll n LYS 106 Ca -0.02 0.19 -0.40 0.00 -2.02 0.00 0.00 58.31 56.06 2gll n LYS 106 Cb 0.66 -4.23 -0.05 0.00 -0.02 0.00 0.00 35.03 31.39 2gll n LYS 106 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2gll s VAL 107 N -3.88 4.60 -0.07 -0.18 1.01 -1.25 -4.00 120.40 116.62 2gll s VAL 107 Ca 0.32 1.71 -0.03 0.00 0.00 0.00 0.00 61.98 63.98 2gll s VAL 107 Cb -0.18 -4.15 0.04 0.00 0.00 0.00 0.00 36.38 32.09 2gll s VAL 107 CO 0.98 0.40 0.16 -0.75 0.00 0.00 0.00 175.10 175.89 2gll s LYS 108 N -0.36 0.09 -0.23 2.72 2.20 -0.32 -4.98 119.74 118.86 2gll s LYS 108 Ca 0.39 0.43 -0.09 0.00 -0.36 0.00 0.00 55.97 56.33 2gll s LYS 108 Cb -0.22 -0.19 -0.04 0.00 -1.51 0.00 0.00 37.83 35.87 2gll s LYS 108 CO 0.25 -0.19 0.13 -0.06 -0.36 0.00 0.00 175.35 175.11 2gll s PHE 109 N 1.41 3.25 -0.15 4.03 0.40 -1.26 -1.79 117.98 123.87 2gll s PHE 109 Ca -0.07 0.07 -0.01 0.00 -0.60 0.00 0.00 56.93 56.33 2gll s PHE 109 Cb -0.12 -2.23 -0.09 0.00 0.51 0.00 0.00 43.02 41.09 2gll s PHE 109 CO -0.06 -0.01 -0.15 0.54 0.70 0.00 0.00 175.22 176.24 2gll n ARG 110 N 4.31 0.37 -4.19 0.44 1.74 0.23 -4.98 116.66 114.57 2gll n ARG 110 Ca -0.15 0.10 -0.18 0.00 -0.77 0.00 0.00 57.85 56.84 2gll n ARG 110 Cb 0.52 -1.25 -0.15 0.00 -1.02 0.00 0.00 32.46 30.55 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 -2.30 0.51 0.28 0.55 1.01 -0.89 -5.03 121.20 115.34 2gll s ILE 111 Ca -0.21 -0.18 -0.29 0.00 0.00 0.00 0.00 60.65 59.97 2gll s ILE 111 Cb 0.06 -0.49 -0.10 0.00 0.01 0.00 0.00 42.46 41.94 2gll s ILE 111 CO 0.33 0.18 1.26 -2.16 0.00 0.00 0.00 174.94 174.56 2gll s PRO 112 N 0.42 4.43 -0.09 2.79 0.04 -1.26 -4.78 135.00 136.55 2gll s PRO 112 Ca -0.05 2.08 -0.12 0.00 0.04 0.00 0.00 61.00 62.94 2gll s PRO 112 Cb -0.09 -3.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.27 2gll s PRO 112 CO -0.00 -0.12 0.30 0.08 0.04 0.00 0.00 177.00 177.30 2gll s VAL 113 N -0.78 5.26 0.17 -0.36 1.01 -1.26 -5.02 120.40 119.41 2gll s VAL 113 Ca 0.50 0.57 0.01 0.00 0.00 0.00 0.00 61.98 63.07 2gll s VAL 113 Cb -0.37 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 2gll s VAL 113 CO 0.46 0.52 0.01 0.42 0.00 0.00 0.00 175.10 176.51 2gll s THR 114 N -0.50 0.60 0.25 3.92 -4.23 -1.26 -0.83 115.64 113.59 2gll s THR 114 Ca 0.19 -1.97 -0.30 0.00 -1.18 0.00 0.00 61.69 58.43 2gll s THR 114 Cb -0.14 -2.14 -0.14 0.00 1.34 0.00 0.00 72.50 71.42 2gll s THR 114 CO 0.07 -0.45 1.13 -2.65 -0.54 0.00 0.00 174.62 172.18 2gll n PRO 115 N -0.23 1.44 0.00 3.99 -0.02 -1.26 -1.04 135.00 137.87 2gll n PRO 115 Ca -0.06 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2gll n PRO 115 Cb 0.63 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 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 1.55 3.24 3.79 -1.23 0.00 0.09 -4.93 105.19 107.70 2gll n GLY 116 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.79 6.89 -0.45 1.61 -0.00 -0.21 -4.89 116.67 118.84 2gll s ASP 117 Ca 0.00 1.90 -0.09 0.00 -0.00 0.00 0.00 52.55 54.36 2gll s ASP 117 Cb 0.00 -2.57 0.11 0.00 -0.00 0.00 0.00 42.92 40.45 2gll s ASP 117 CO 0.00 -0.39 0.31 -0.60 -0.00 0.00 0.00 175.17 174.49 2gll s ARG 118 N -2.63 2.49 -0.70 8.23 3.52 -1.26 -1.19 118.95 127.42 2gll s ARG 118 Ca 0.58 -1.67 -0.26 0.00 -0.13 0.00 0.00 55.73 54.26 2gll s ARG 118 Cb -0.18 -3.85 0.04 0.00 -1.56 0.00 0.00 34.95 29.40 2gll s ARG 118 CO 0.22 -1.11 1.17 -1.17 -0.81 0.00 0.00 175.30 173.61 2gll s LEU 119 N 1.37 3.57 -0.29 -0.88 2.96 -0.54 -4.38 118.68 120.49 2gll s LEU 119 Ca 0.05 -0.56 -0.19 0.00 -0.22 0.00 0.00 54.13 53.21 2gll s LEU 119 Cb -0.25 -2.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.85 2gll s LEU 119 CO -0.00 -1.67 0.56 -0.70 -1.32 0.00 0.00 176.35 173.21 2gll s GLU 120 N 5.13 3.94 -0.13 1.98 2.12 0.86 -0.65 118.70 131.95 2gll s GLU 120 Ca 0.32 0.25 -0.21 0.00 0.36 0.00 0.00 54.97 55.68 2gll s GLU 120 Cb -0.11 -3.70 -0.03 0.00 0.26 0.00 0.00 34.13 30.55 2gll s GLU 120 CO 0.15 -0.48 0.61 0.71 -0.54 0.00 0.00 175.26 175.71 2gll s TYR 121 N 2.43 3.48 -0.33 5.30 4.12 0.35 0.50 117.35 133.20 2gll s TYR 121 Ca 0.22 1.02 0.04 0.00 0.02 0.00 0.00 57.07 58.37 2gll s TYR 121 Cb -0.15 -2.72 0.10 0.00 -1.52 0.00 0.00 41.96 37.66 2gll s TYR 121 CO 0.11 0.02 0.04 -1.01 0.02 0.00 0.00 175.55 174.72 2gll s HIS 122 N 1.15 3.61 -0.04 2.71 3.76 0.18 -1.49 115.29 125.17 2gll s HIS 122 Ca 0.31 -2.87 0.06 0.00 -0.15 0.00 0.00 55.06 52.41 2gll s HIS 122 Cb -0.16 -2.77 -0.02 0.00 1.11 0.00 0.00 32.58 30.74 2gll s HIS 122 CO 0.13 -0.94 -0.21 -0.51 -0.85 0.00 0.00 174.74 172.36 2gll s LEU 123 N 0.96 2.31 0.05 0.89 2.01 -0.86 -0.38 118.68 123.66 2gll s LEU 123 Ca 0.09 -0.37 0.07 0.00 0.01 0.00 0.00 54.13 53.92 2gll s LEU 123 Cb -0.19 -1.43 -0.03 0.00 0.01 0.00 0.00 46.19 44.56 2gll s LEU 123 CO -0.09 0.32 -0.18 -1.61 1.01 0.00 0.00 176.35 175.80 2gll s GLU 124 N -0.60 1.20 -0.50 1.70 8.01 0.25 -1.62 118.70 127.15 2gll s GLU 124 Ca 0.09 -0.90 -0.29 0.00 0.01 0.00 0.00 54.97 53.88 2gll s GLU 124 Cb -0.11 -1.30 0.03 0.00 -4.31 0.00 0.00 34.13 28.44 2gll s GLU 124 CO 0.00 0.32 1.14 0.08 0.01 0.00 0.00 175.26 176.81 2gll s VAL 125 N -0.86 4.18 0.02 2.63 1.01 0.11 -1.65 120.40 125.84 2gll s VAL 125 Ca 0.05 1.13 -0.07 0.00 0.00 0.00 0.00 61.98 63.09 2gll s VAL 125 Cb -0.09 -4.62 -0.30 0.00 0.00 0.00 0.00 36.38 31.37 2gll s VAL 125 CO 0.02 -1.07 0.92 -0.07 0.00 0.00 0.00 175.10 174.90 2gll h LEU 126 N 11.33 0.52 -7.00 3.92 3.38 -1.23 -3.48 115.31 122.76 2gll h LEU 126 Ca -0.23 -0.66 -0.00 0.00 0.09 0.00 0.00 57.88 57.08 2gll h LEU 126 Cb 1.06 -0.17 -0.22 0.00 0.09 0.00 0.00 40.66 41.42 2gll h LEU 126 CO 1.14 1.53 0.29 -0.75 0.09 0.00 0.00 178.44 180.74 2gll s LYS 127 N -2.62 0.79 -0.23 1.13 2.20 -1.02 -5.00 119.74 114.98 2gll s LYS 127 Ca -0.09 0.56 -0.18 0.00 -0.36 0.00 0.00 55.97 55.90 2gll s LYS 127 Cb 0.06 0.38 0.06 0.00 -1.51 0.00 0.00 37.83 36.82 2gll s LYS 127 CO 0.88 -0.17 0.60 -3.38 -0.36 0.00 0.00 175.35 172.92 2gll s HIS 128 N -0.35 -0.77 0.00 4.03 -3.43 -1.26 0.26 115.29 113.77 2gll s HIS 128 Ca -0.03 1.72 0.00 0.00 -0.80 0.00 0.00 55.06 55.95 2gll s HIS 128 Cb -0.03 0.34 0.00 0.00 -1.43 0.00 0.00 32.58 31.47 2gll s HIS 128 CO 0.02 -0.38 0.00 1.17 -2.00 0.00 0.00 174.74 173.55 2gll n LYS 129 N 3.39 0.00 0.00 -0.38 4.81 -0.96 -5.04 118.16 119.99 2gll n LYS 129 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 2gll n LYS 129 Cb 0.57 -0.03 0.00 0.00 0.02 0.00 0.00 35.03 35.58 2gll n LYS 129 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2gll n GLY 130 N 3.49 0.40 0.92 3.14 0.00 -1.26 -4.88 105.19 107.01 2gll n GLY 130 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2gll n GLY 130 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2gll n MET 131 N 0.00 2.11 -3.27 1.61 2.81 -1.26 -4.88 117.12 114.25 2gll n MET 131 Ca 0.00 -1.90 -0.42 0.00 -1.81 0.00 0.00 57.70 53.58 2gll n MET 131 Cb 0.00 -1.43 -0.08 0.00 -0.71 0.00 0.00 33.22 31.00 2gll n MET 131 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2gll s ILE 132 N -1.70 5.03 -0.09 2.02 -1.09 -1.26 0.55 121.20 124.66 2gll s ILE 132 Ca 0.28 0.15 0.04 0.00 -2.23 0.00 0.00 60.65 58.88 2gll s ILE 132 Cb 0.19 -3.98 0.00 0.00 -1.58 0.00 0.00 42.46 37.09 2gll s ILE 132 CO 0.28 -0.27 -0.22 0.26 -1.23 0.00 0.00 174.94 173.76 2gll s TRP 133 N 2.33 2.33 -0.25 3.97 0.52 -0.26 -2.25 118.94 125.33 2gll s TRP 133 Ca 0.17 -0.93 -0.04 0.00 0.02 0.00 0.00 56.10 55.31 2gll s TRP 133 Cb -0.16 -1.57 0.00 0.00 -1.15 0.00 0.00 33.47 30.59 2gll s TRP 133 CO 0.14 -0.38 -0.00 -1.14 0.02 0.00 0.00 176.95 175.58 2gll s GLN 134 N 0.38 3.22 0.09 4.98 0.74 0.14 0.77 119.66 129.97 2gll s GLN 134 Ca -0.17 -0.74 0.07 0.00 0.05 0.00 0.00 55.36 54.56 2gll s GLN 134 Cb -0.17 -3.13 -0.03 0.00 1.10 0.00 0.00 33.01 30.78 2gll s GLN 134 CO 0.08 -0.30 -0.19 0.14 -0.55 0.00 0.00 175.29 174.46 2gll s VAL 135 N 1.47 1.55 0.04 1.34 -7.23 0.13 -0.68 120.40 117.01 2gll s VAL 135 Ca 0.04 -1.43 -0.05 0.00 -1.81 0.00 0.00 61.98 58.73 2gll s VAL 135 Cb -0.16 -1.41 -0.01 0.00 0.56 0.00 0.00 36.38 35.36 2gll s VAL 135 CO -0.01 -0.07 0.07 -0.83 -0.31 0.00 0.00 175.10 173.95 2gll s GLY 136 N -1.76 0.20 0.00 2.32 0.00 -0.66 -0.06 107.32 107.37 2gll s GLY 136 Ca 0.04 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.17 2gll s GLY 136 CO 0.03 -0.72 0.00 0.61 0.00 0.00 0.00 173.10 173.02 2gll n GLY 137 N 0.84 -0.56 3.18 0.20 0.00 -0.74 -0.58 105.19 107.53 2gll n GLY 137 Ca -0.19 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.34 0.17 -0.09 2.61 -4.23 0.49 -2.05 115.64 109.21 2gll s THR 138 Ca 0.00 -1.94 0.02 0.00 -1.18 0.00 0.00 61.69 58.60 2gll s THR 138 Cb 0.00 -2.15 -0.02 0.00 1.34 0.00 0.00 72.50 71.67 2gll s THR 138 CO 0.00 -0.37 -0.17 0.00 -0.54 0.00 0.00 174.62 173.54 2gll s ALA 139 N -4.01 2.50 0.06 3.99 0.00 -0.31 0.51 121.76 124.51 2gll s ALA 139 Ca 0.27 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.32 2gll s ALA 139 Cb 0.07 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 2gll s ALA 139 CO 0.04 0.37 -0.11 -0.65 0.00 0.00 0.00 175.76 175.41 2gll s GLN 140 N -0.05 0.72 -0.09 0.00 -0.21 0.18 -1.19 119.66 119.02 2gll s GLN 140 Ca -0.04 -0.92 -0.00 0.00 0.02 0.00 0.00 55.36 54.42 2gll s GLN 140 Cb -0.14 -0.58 0.02 0.00 1.00 0.00 0.00 33.01 33.31 2gll s GLN 140 CO 0.04 0.12 -0.06 0.08 -2.12 0.00 0.00 175.29 173.35 2gll s VAL 141 N -1.51 0.85 -1.45 1.09 1.01 -0.48 -0.10 120.40 119.82 2gll s VAL 141 Ca -0.04 -0.21 -0.09 0.00 0.00 0.00 0.00 61.98 61.65 2gll s VAL 141 Cb -0.09 -0.89 0.05 0.00 0.00 0.00 0.00 36.38 35.46 2gll s VAL 141 CO 0.01 0.33 0.92 0.47 0.00 0.00 0.00 175.10 176.84 2gll n ASP 142 N 4.77 -3.87 0.00 3.32 8.00 -1.26 -1.36 116.55 126.15 2gll n ASP 142 Ca -0.14 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.60 2gll n ASP 142 Cb 0.50 -4.06 0.00 0.00 -0.02 0.00 0.00 41.12 37.54 2gll n ASP 142 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gll n GLY 143 N -1.68 2.02 3.80 0.44 0.00 -1.26 -4.99 105.19 103.51 2gll n GLY 143 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.05 3.87 -0.07 1.61 1.02 -0.46 -5.05 119.74 120.61 2gll s LYS 144 Ca 0.00 -0.05 -0.30 0.00 0.02 0.00 0.00 55.97 55.64 2gll s LYS 144 Cb 0.00 -3.31 -0.05 0.00 -0.52 0.00 0.00 37.83 33.96 2gll s LYS 144 CO 0.00 0.52 1.52 0.08 -0.92 0.00 0.00 175.35 176.55 2gll s VAL 145 N -0.34 3.75 -0.10 3.17 1.01 -1.26 -1.38 120.40 125.24 2gll s VAL 145 Ca 0.14 0.96 0.17 0.00 0.00 0.00 0.00 61.98 63.26 2gll s VAL 145 Cb -0.12 -3.62 -0.26 0.00 0.00 0.00 0.00 36.38 32.38 2gll s VAL 145 CO 0.03 -0.07 0.41 1.33 0.00 0.00 0.00 175.10 176.80 2gll n VAL 146 N 5.27 0.00 -3.52 2.92 0.24 -0.33 -4.51 118.33 118.41 2gll n VAL 146 Ca 0.16 -0.36 -0.08 0.00 -2.04 0.00 0.00 64.34 62.01 2gll n VAL 146 Cb 0.43 0.20 -0.02 0.00 -1.47 0.00 0.00 33.84 32.99 2gll n VAL 146 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gll s ALA 147 N -3.12 -1.79 -0.02 2.33 0.00 -1.15 -0.61 121.76 117.41 2gll s ALA 147 Ca -0.05 0.89 -0.09 0.00 0.00 0.00 0.00 51.96 52.71 2gll s ALA 147 Cb 0.11 0.48 0.01 0.00 0.00 0.00 0.00 23.12 23.72 2gll s ALA 147 CO 0.70 -0.73 0.19 -1.83 0.00 0.00 0.00 175.76 174.09 2gll s GLU 148 N -3.19 0.45 0.23 0.00 -1.05 -0.74 -1.16 118.70 113.23 2gll s GLU 148 Ca 0.05 -0.17 -0.22 0.00 -0.15 0.00 0.00 54.97 54.49 2gll s GLU 148 Cb -0.01 0.19 0.04 0.00 -0.44 0.00 0.00 34.13 33.91 2gll s GLU 148 CO -0.08 -0.10 0.67 0.00 0.95 0.00 0.00 175.26 176.70 2gll s ALA 149 N -0.95 -1.38 -0.02 -0.84 0.00 -0.87 -1.18 121.76 116.53 2gll s ALA 149 Ca -0.10 0.03 0.02 0.00 0.00 0.00 0.00 51.96 51.90 2gll s ALA 149 Cb -0.05 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.93 2gll s ALA 149 CO 0.02 -0.93 -0.08 -1.21 0.00 0.00 0.00 175.76 173.56 2gll s GLU 150 N -3.85 0.76 -0.04 0.00 2.02 0.00 -1.79 118.70 115.81 2gll s GLU 150 Ca 0.07 -0.27 -0.09 0.00 0.02 0.00 0.00 54.97 54.70 2gll s GLU 150 Cb -0.04 -0.73 0.01 0.00 0.10 0.00 0.00 34.13 33.47 2gll s GLU 150 CO -0.01 0.12 0.21 -0.51 0.02 0.00 0.00 175.26 175.09 2gll s LEU 151 N 0.07 1.24 -0.11 1.80 1.02 0.92 0.55 118.68 124.16 2gll s LEU 151 Ca -0.01 0.13 0.00 0.00 0.02 0.00 0.00 54.13 54.28 2gll s LEU 151 Cb -0.06 0.84 -0.02 0.00 0.02 0.00 0.00 46.19 46.97 2gll s LEU 151 CO -0.00 -0.26 -0.11 -0.75 0.02 0.00 0.00 176.35 175.24 2gll s LYS 152 N -0.74 3.20 0.23 1.70 2.20 -0.75 0.19 119.74 125.77 2gll s LYS 152 Ca -0.08 -0.65 0.06 0.00 -0.36 0.00 0.00 55.97 54.93 2gll s LYS 152 Cb -0.05 -2.62 -0.05 0.00 -1.51 0.00 0.00 37.83 33.61 2gll s LYS 152 CO 0.02 0.34 -0.08 0.00 -0.36 0.00 0.00 175.35 175.26 2gll s ALA 153 N 0.04 2.01 -0.09 3.13 0.00 0.23 -0.58 121.76 126.50 2gll s ALA 153 Ca -0.04 -1.74 0.03 0.00 0.00 0.00 0.00 51.96 50.21 2gll s ALA 153 Cb -0.14 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.14 2gll s ALA 153 CO 0.04 -0.07 -0.17 1.41 0.00 0.00 0.00 175.76 176.97 2gll s MET 154 N -3.73 2.35 -0.62 0.00 1.75 1.31 -1.10 119.30 119.25 2gll s MET 154 Ca 0.25 -0.63 -0.25 0.00 -1.25 0.00 0.00 55.69 53.82 2gll s MET 154 Cb 0.03 -1.89 0.05 0.00 2.84 0.00 0.00 34.83 35.85 2gll s MET 154 CO 0.08 0.04 1.04 0.42 -0.65 0.00 0.00 175.02 175.94 2gll s ILE 155 N 0.69 4.21 0.34 10.11 -1.09 0.19 0.14 121.20 135.79 2gll s ILE 155 Ca -0.13 0.20 0.07 0.00 -2.23 0.00 0.00 60.65 58.56 2gll s ILE 155 Cb -0.16 -4.67 -0.03 0.00 -1.58 0.00 0.00 42.46 36.02 2gll s ILE 155 CO 0.03 -1.37 0.29 0.00 -1.23 0.00 0.00 174.94 172.66 2gll s ALA 156 N 4.41 3.83 0.17 9.38 0.00 0.73 -4.84 121.76 135.45 2gll s ALA 156 Ca 0.30 -1.67 -0.30 0.00 0.00 0.00 0.00 51.96 50.29 2gll s ALA 156 Cb -0.12 -1.14 -0.07 0.00 0.00 0.00 0.00 23.12 21.78 2gll s ALA 156 CO 0.17 0.00 0.95 -2.00 0.00 0.00 0.00 175.76 174.88 2gll s GLU 157 N -3.99 4.77 0.33 0.00 2.56 -1.26 -0.34 118.70 120.76 2gll s GLU 157 Ca 0.41 1.47 0.15 0.00 0.00 0.00 0.00 54.97 57.00 2gll s GLU 157 Cb -0.06 -3.33 0.52 0.00 2.00 0.00 0.00 34.13 33.26 2gll s GLU 157 CO 0.26 0.35 1.67 -0.09 -0.56 0.00 0.00 175.26 176.90 2gll h ARG 158 N 4.92 0.00 0.00 4.30 2.43 -1.39 -3.44 114.38 121.21 2gll h ARG 158 Ca -0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 2gll h ARG 158 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2gll h ARG 158 CO 0.70 0.49 0.00 0.39 -1.51 0.00 0.00 179.97 180.04