#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gnl s GLU 10 N 0.00 4.26 0.37 5.31 2.02 -1.26 -5.05 118.70 124.35 3gnl s GLU 10 Ca 0.00 1.11 -0.27 0.00 0.02 0.00 0.00 54.97 55.84 3gnl s GLU 10 Cb 0.00 -2.28 -0.09 0.00 0.10 0.00 0.00 34.13 31.86 3gnl s GLU 10 CO 0.00 0.03 1.21 -1.14 0.02 0.00 0.00 175.26 175.38 3gnl s GLN 11 N -3.01 4.20 0.66 1.61 0.74 -1.26 -5.02 119.66 117.58 3gnl s GLN 11 Ca 0.60 1.97 -0.15 0.00 0.05 0.00 0.00 55.36 57.82 3gnl s GLN 11 Cb -0.10 -2.86 -0.00 0.00 1.10 0.00 0.00 33.01 31.15 3gnl s GLN 11 CO 0.15 -0.23 1.12 -0.51 -0.55 0.00 0.00 175.29 175.26 3gnl s LEU 12 N -2.16 3.40 0.89 3.68 1.43 -1.26 -5.02 118.68 119.63 3gnl s LEU 12 Ca 0.53 2.03 -0.11 0.00 -1.03 0.00 0.00 54.13 55.55 3gnl s LEU 12 Cb -0.34 -4.55 0.13 0.00 0.03 0.00 0.00 46.19 41.45 3gnl s LEU 12 CO 0.44 -1.65 1.13 -1.54 0.23 0.00 0.00 176.35 174.95 3gnl n SER 13 N -2.39 0.41 -0.12 2.29 3.41 -1.26 -4.73 113.62 111.22 3gnl n SER 13 Ca 0.11 0.46 0.01 0.00 -0.26 0.00 0.00 58.87 59.19 3gnl n SER 13 Cb 0.52 -1.47 0.30 0.00 -0.26 0.00 0.00 64.21 63.29 3gnl n SER 13 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3gnl h LYS 14 N -1.61 0.79 0.28 4.33 1.79 -1.98 0.21 116.57 120.38 3gnl h LYS 14 Ca -0.44 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 57.94 3gnl h LYS 14 Cb 1.28 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 3gnl h LYS 14 CO 0.42 0.57 -0.13 -0.09 -1.08 0.00 0.00 179.45 179.14 3gnl h ARG 15 N 0.80 -0.36 0.00 3.15 2.43 -1.96 -0.89 114.38 117.55 3gnl h ARG 15 Ca 0.21 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.29 3gnl h ARG 15 Cb -0.00 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3gnl h ARG 15 CO -0.04 -0.22 -0.52 -0.07 -1.51 0.00 0.00 179.97 177.61 3gnl h LEU 16 N -0.40 0.00 -0.64 3.80 3.38 -1.80 -1.81 115.31 117.84 3gnl h LEU 16 Ca -0.04 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 3gnl h LEU 16 Cb 0.30 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3gnl h LEU 16 CO 0.06 0.52 0.14 -0.08 0.09 0.00 0.00 178.44 179.17 3gnl h GLU 17 N 0.00 1.03 -0.42 1.13 4.81 -0.51 -0.36 114.58 120.26 3gnl h GLU 17 Ca -0.01 -0.26 -0.07 0.00 -0.13 0.00 0.00 59.36 58.90 3gnl h GLU 17 Cb 0.99 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 3gnl h GLU 17 CO 0.07 0.94 -0.01 -0.22 -0.73 0.00 0.00 179.01 179.06 3gnl h LYS 18 N 0.95 0.74 -0.19 1.92 1.63 -0.86 -0.37 116.57 120.40 3gnl h LYS 18 Ca 0.20 -0.24 0.03 0.00 -0.85 0.00 0.00 60.65 59.78 3gnl h LYS 18 Cb 0.38 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.92 3gnl h LYS 18 CO 0.00 0.83 0.02 0.28 -3.45 0.00 0.00 179.45 177.13 3gnl h VAL 19 N 0.57 0.89 0.00 2.00 2.07 -1.10 -2.29 116.25 118.41 3gnl h VAL 19 Ca 0.12 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 3gnl h VAL 19 Cb 0.50 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3gnl h VAL 19 CO 0.02 0.02 -0.04 0.00 0.02 0.00 0.00 177.57 177.59 3gnl h ALA 20 N 1.14 1.71 0.00 1.67 0.00 -0.80 -2.70 119.26 120.28 3gnl h ALA 20 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3gnl h ALA 20 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3gnl h ALA 20 CO -0.13 0.04 0.00 0.66 0.00 0.00 0.00 179.25 179.83 3gnl h SER 21 N 0.00 0.00 -0.10 0.00 4.64 -0.45 -0.67 113.55 116.97 3gnl h SER 21 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gnl h SER 21 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3gnl h SER 21 CO 0.00 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.74 3gnl n TYR 22 N -2.43 0.12 -3.62 4.77 4.01 -1.02 -4.73 117.16 114.27 3gnl n TYR 22 Ca 0.00 -0.06 -0.39 0.00 -0.16 0.00 0.00 57.90 57.29 3gnl n TYR 22 Cb 0.17 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.09 3gnl n TYR 22 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3gnl s ILE 23 N -1.88 4.78 0.00 -0.72 1.01 -0.26 -4.92 121.20 119.22 3gnl s ILE 23 Ca 0.35 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.59 3gnl s ILE 23 Cb 0.19 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 39.20 3gnl s ILE 23 CO 0.30 0.02 0.00 0.35 0.00 0.00 0.00 174.94 175.60 3gnl n THR 24 N 5.02 0.00 -1.69 2.92 -2.24 -1.26 -4.86 114.28 112.17 3gnl n THR 24 Ca -0.13 -0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.48 3gnl n THR 24 Cb 0.49 0.39 0.12 0.00 -2.10 0.00 0.00 70.33 69.23 3gnl n THR 24 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3gnl n LYS 25 N -0.26 2.55 -3.81 -0.78 5.02 -1.25 -4.91 118.16 114.71 3gnl n LYS 25 Ca 0.00 -3.60 -0.27 0.00 -2.02 0.00 0.00 58.31 52.42 3gnl n LYS 25 Cb 0.00 -2.01 0.01 0.00 -0.02 0.00 0.00 35.03 33.02 3gnl n LYS 25 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3gnl n ASN 26 N -0.95 -2.40 -4.90 4.39 4.05 -0.39 -4.94 115.26 110.12 3gnl n ASN 26 Ca 0.38 -0.99 -0.28 0.00 0.45 0.00 0.00 54.58 54.13 3gnl n ASN 26 Cb 0.91 -3.30 -0.01 0.00 1.23 0.00 0.00 39.78 38.60 3gnl n ASN 26 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3gnl s GLU 27 N -6.26 3.63 -0.37 1.20 2.02 -0.95 -4.08 118.70 113.89 3gnl s GLU 27 Ca 0.19 0.28 -0.21 0.00 0.02 0.00 0.00 54.97 55.25 3gnl s GLU 27 Cb -0.07 -2.40 0.01 0.00 0.10 0.00 0.00 34.13 31.77 3gnl s GLU 27 CO 0.87 -0.12 0.67 1.03 0.02 0.00 0.00 175.26 177.73 3gnl s ARG 28 N -4.35 3.66 0.21 1.61 0.52 -1.26 -0.77 118.95 118.55 3gnl s ARG 28 Ca 0.48 0.07 0.09 0.00 -0.52 0.00 0.00 55.73 55.85 3gnl s ARG 28 Cb -0.10 -3.82 -0.04 0.00 0.52 0.00 0.00 34.95 31.50 3gnl s ARG 28 CO 0.39 -0.79 -0.07 0.96 0.02 0.00 0.00 175.30 175.81 3gnl s ILE 29 N 2.80 3.24 -0.11 1.52 -4.36 -0.34 0.12 121.20 124.07 3gnl s ILE 29 Ca 0.26 -1.76 0.01 0.00 -0.26 0.00 0.00 60.65 58.90 3gnl s ILE 29 Cb -0.14 -2.64 0.02 0.00 1.25 0.00 0.00 42.46 40.95 3gnl s ILE 29 CO 0.16 -0.19 -0.11 0.00 0.24 0.00 0.00 174.94 175.03 3gnl s ALA 30 N -1.91 1.45 -0.42 2.27 0.00 -0.19 -1.08 121.76 121.88 3gnl s ALA 30 Ca 0.27 -0.60 -0.11 0.00 0.00 0.00 0.00 51.96 51.51 3gnl s ALA 30 Cb -0.08 -0.85 0.06 0.00 0.00 0.00 0.00 23.12 22.26 3gnl s ALA 30 CO 0.16 -0.25 0.28 0.34 0.00 0.00 0.00 175.76 176.30 3gnl s ASP 31 N 1.34 5.80 -0.15 0.00 2.15 0.24 -0.30 116.67 125.75 3gnl s ASP 31 Ca -0.01 -1.32 -0.23 0.00 0.43 0.00 0.00 52.55 51.42 3gnl s ASP 31 Cb -0.14 -2.05 -0.02 0.00 -0.30 0.00 0.00 42.92 40.41 3gnl s ASP 31 CO -0.05 -0.52 0.73 -0.63 -0.17 0.00 0.00 175.17 174.53 3gnl s ILE 32 N 1.52 4.97 -1.05 4.11 -1.09 -0.26 -0.94 121.20 128.45 3gnl s ILE 32 Ca 0.03 1.44 -0.04 0.00 -2.23 0.00 0.00 60.65 59.85 3gnl s ILE 32 Cb -0.22 -4.05 0.00 0.00 -1.58 0.00 0.00 42.46 36.61 3gnl s ILE 32 CO 0.05 0.11 0.90 0.61 -1.23 0.00 0.00 174.94 175.38 3gnl n GLY 33 N 3.47 -0.24 3.76 6.18 0.00 -0.62 -4.31 105.19 113.44 3gnl n GLY 33 Ca 0.01 0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3gnl n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gnl s SER 34 N -3.60 6.38 -0.87 1.61 0.15 -0.88 -4.87 113.70 111.62 3gnl s SER 34 Ca 0.28 2.97 -0.25 0.00 0.70 0.00 0.00 55.95 59.65 3gnl s SER 34 Cb -0.12 -2.65 0.03 0.00 -1.71 0.00 0.00 66.02 61.57 3gnl s SER 34 CO 0.59 -0.88 1.42 -0.62 1.20 0.00 0.00 173.24 174.95 3gnl s ASP 35 N 0.23 6.21 -1.15 5.45 -1.08 -1.26 -4.14 116.67 120.92 3gnl s ASP 35 Ca 0.59 -0.87 0.00 0.00 -0.52 0.00 0.00 52.55 51.74 3gnl s ASP 35 Cb -0.47 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.43 3gnl s ASP 35 CO 0.54 -1.77 0.00 1.41 0.52 0.00 0.00 175.17 175.87 3gnl n HIS 36 N 9.59 -0.16 -1.55 -5.34 8.25 -1.26 -1.50 115.22 123.25 3gnl n HIS 36 Ca 0.20 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.47 3gnl n HIS 36 Cb 0.50 -2.50 -0.08 0.00 1.12 0.00 0.00 29.99 29.03 3gnl n HIS 36 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gnl n ALA 37 N 0.80 -0.29 -0.05 -1.41 0.00 -1.26 -4.49 120.51 113.81 3gnl n ALA 37 Ca -0.11 0.31 -0.09 0.00 0.00 0.00 0.00 53.44 53.55 3gnl n ALA 37 Cb 0.48 -1.93 -0.02 0.00 0.00 0.00 0.00 19.45 17.97 3gnl n ALA 37 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3gnl h TYR 38 N 0.00 0.21 -0.20 0.00 0.05 -1.63 -1.29 116.97 114.11 3gnl h TYR 38 Ca -0.39 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.39 3gnl h TYR 38 Cb 1.27 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.94 3gnl h TYR 38 CO 0.55 0.12 0.08 1.25 -1.05 0.00 0.00 178.16 179.11 3gnl h LEU 39 N 0.24 0.28 -0.90 3.88 6.46 -1.90 -0.10 115.31 123.27 3gnl h LEU 39 Ca 0.09 -0.17 0.06 0.00 -0.12 0.00 0.00 57.88 57.74 3gnl h LEU 39 Cb 0.02 -0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 39.81 3gnl h LEU 39 CO -0.06 0.38 0.57 -0.65 -0.62 0.00 0.00 178.44 178.06 3gnl h PRO 40 N 0.17 1.01 -0.37 5.25 0.11 -1.93 -0.23 132.00 136.01 3gnl h PRO 40 Ca 0.07 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.07 3gnl h PRO 40 Cb 0.19 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 3gnl h PRO 40 CO -0.00 0.67 0.04 0.00 -0.21 0.00 0.00 178.00 178.50 3gnl h PHE 42 N 0.46 1.13 0.05 0.00 3.57 -0.46 -0.94 116.94 120.74 3gnl h PHE 42 Ca 0.11 -0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.36 3gnl h PHE 42 Cb 0.40 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 3gnl h PHE 42 CO 0.03 0.77 -1.05 0.00 -2.23 0.00 0.00 178.31 175.84 3gnl h ALA 43 N 1.25 0.30 -0.23 2.41 0.00 -0.85 -1.78 119.26 120.36 3gnl h ALA 43 Ca 0.29 -0.80 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 3gnl h ALA 43 Cb 0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3gnl h ALA 43 CO -0.05 0.95 -0.29 0.28 0.00 0.00 0.00 179.25 180.14 3gnl h VAL 44 N 0.11 1.32 -0.53 0.00 2.07 -0.99 0.15 116.25 118.37 3gnl h VAL 44 Ca -0.08 -1.48 -0.02 0.00 0.82 0.00 0.00 66.70 65.94 3gnl h VAL 44 Cb 1.73 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 33.21 3gnl h VAL 44 CO 0.17 0.46 0.26 0.11 0.02 0.00 0.00 177.57 178.59 3gnl h LYS 45 N 0.30 0.76 -0.13 1.57 1.79 -1.10 -1.95 116.57 117.81 3gnl h LYS 45 Ca 0.03 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 3gnl h LYS 45 Cb 0.87 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 3gnl h LYS 45 CO 0.07 0.62 0.00 0.27 -1.08 0.00 0.00 179.45 179.33 3gnl n ASN 46 N -4.59 1.33 0.00 0.86 0.23 -0.68 -4.90 115.26 107.52 3gnl n ASN 46 Ca 0.02 -1.66 0.00 0.00 -0.53 0.00 0.00 54.58 52.42 3gnl n ASN 46 Cb 0.12 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 3gnl n ASN 46 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gnl n GLN 47 N 0.10 -0.18 0.25 -3.83 6.02 -0.73 -4.90 117.38 114.11 3gnl n GLN 47 Ca 0.16 0.04 0.14 0.00 -0.01 0.00 0.00 57.00 57.33 3gnl n GLN 47 Cb 0.28 -3.13 0.54 0.00 1.02 0.00 0.00 30.24 28.94 3gnl n GLN 47 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 3gnl h THR 48 N 0.00 0.20 -4.21 5.09 1.35 -1.54 -3.37 112.91 110.43 3gnl h THR 48 Ca 0.00 -0.81 -0.63 0.00 -0.55 0.00 0.00 66.41 64.42 3gnl h THR 48 Cb 0.09 1.67 -0.26 0.00 -1.73 0.00 0.00 68.15 67.92 3gnl h THR 48 CO 0.00 0.08 -0.86 0.00 -0.25 0.00 0.00 175.52 174.49 3gnl s ALA 49 N -3.59 1.99 -0.29 6.62 0.00 0.42 -1.26 121.76 125.64 3gnl s ALA 49 Ca 0.02 -1.17 0.22 0.00 0.00 0.00 0.00 51.96 51.03 3gnl s ALA 49 Cb 0.09 -0.40 -0.25 0.00 0.00 0.00 0.00 23.12 22.56 3gnl s ALA 49 CO 0.59 0.46 0.67 -1.13 0.00 0.00 0.00 175.76 176.35 3gnl n SER 50 N 1.77 0.32 -3.59 0.00 3.41 0.05 -4.10 113.62 111.48 3gnl n SER 50 Ca -0.17 -0.17 -0.15 0.00 -0.26 0.00 0.00 58.87 58.12 3gnl n SER 50 Cb 0.53 1.55 -0.07 0.00 -0.26 0.00 0.00 64.21 65.96 3gnl n SER 50 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3gnl s PHE 51 N -3.38 -0.68 0.01 7.33 5.36 -1.24 -4.91 117.98 120.48 3gnl s PHE 51 Ca -0.03 1.47 0.01 0.00 -0.96 0.00 0.00 56.93 57.42 3gnl s PHE 51 Cb 0.14 0.34 -0.01 0.00 -0.34 0.00 0.00 43.02 43.15 3gnl s PHE 51 CO 0.88 -0.44 -0.03 0.00 -1.46 0.00 0.00 175.22 174.17 3gnl s ALA 52 N -0.30 0.17 -0.21 11.12 0.00 -0.50 -1.20 121.76 130.85 3gnl s ALA 52 Ca -0.04 -0.30 -0.11 0.00 0.00 0.00 0.00 51.96 51.51 3gnl s ALA 52 Cb -0.03 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 3gnl s ALA 52 CO 0.03 -0.03 0.19 0.42 0.00 0.00 0.00 175.76 176.37 3gnl s ILE 53 N -0.62 5.36 -0.38 0.00 1.01 -0.24 -1.07 121.20 125.26 3gnl s ILE 53 Ca -0.06 0.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.79 3gnl s ILE 53 Cb -0.04 -3.53 0.04 0.00 0.01 0.00 0.00 42.46 38.93 3gnl s ILE 53 CO -0.00 0.39 0.20 0.00 0.00 0.00 0.00 174.94 175.52 3gnl s ALA 54 N 0.67 3.25 0.09 9.38 0.00 0.66 -0.59 121.76 135.22 3gnl s ALA 54 Ca 0.10 -1.78 -0.16 0.00 0.00 0.00 0.00 51.96 50.12 3gnl s ALA 54 Cb -0.12 -2.56 -0.07 0.00 0.00 0.00 0.00 23.12 20.37 3gnl s ALA 54 CO 0.02 -1.42 0.53 0.20 0.00 0.00 0.00 175.76 175.08 3gnl s GLY 55 N 1.60 2.54 0.00 0.00 0.00 -0.11 -1.24 107.32 110.11 3gnl s GLY 55 Ca 0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 44.72 44.60 3gnl s GLY 55 CO 0.06 0.25 0.07 -0.54 0.00 0.00 0.00 173.10 172.94 3gnl s GLU 56 N -1.48 0.37 -0.11 2.90 0.41 -0.37 -1.58 118.70 118.83 3gnl s GLU 56 Ca 0.32 -0.42 0.19 0.00 -0.41 0.00 0.00 54.97 54.66 3gnl s GLU 56 Cb -0.17 0.15 -0.28 0.00 -1.78 0.00 0.00 34.13 32.05 3gnl s GLU 56 CO 0.18 -0.08 0.29 1.55 -0.49 0.00 0.00 175.26 176.71 3gnl n VAL 57 N 1.70 0.84 -4.35 2.63 3.14 -1.23 -0.33 118.33 120.72 3gnl n VAL 57 Ca -0.22 -0.71 -0.18 0.00 -2.96 0.00 0.00 64.34 60.28 3gnl n VAL 57 Cb 0.56 -0.31 -0.10 0.00 -1.06 0.00 0.00 33.84 32.93 3gnl n VAL 57 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 3gnl s VAL 58 N -2.92 0.71 0.11 1.55 -7.23 -1.26 -4.65 120.40 106.70 3gnl s VAL 58 Ca -0.09 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 57.85 3gnl s VAL 58 Cb 0.09 -2.67 -0.08 0.00 0.56 0.00 0.00 36.38 34.28 3gnl s VAL 58 CO 0.86 -0.01 1.69 0.44 -0.31 0.00 0.00 175.10 177.77 3gnl h ASP 59 N 2.32 -0.36 0.30 4.85 3.32 -1.99 -2.02 116.42 122.84 3gnl h ASP 59 Ca -0.39 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 56.71 3gnl h ASP 59 Cb 1.25 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.92 3gnl h ASP 59 CO 0.63 -0.18 -0.44 1.23 -1.72 0.00 0.00 179.24 178.76 3gnl h GLY 60 N -0.21 -1.19 1.96 2.75 0.00 -1.99 0.50 103.07 104.89 3gnl h GLY 60 Ca 0.04 0.59 -0.06 0.00 0.00 0.00 0.00 47.33 47.90 3gnl h GLY 60 CO -0.12 -0.33 -0.25 -2.55 0.00 0.00 0.00 176.54 173.29 3gnl h PRO 61 N -0.78 0.05 -0.08 4.80 0.11 -1.98 -1.30 132.00 132.83 3gnl h PRO 61 Ca -0.03 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 3gnl h PRO 61 Cb 0.71 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.81 3gnl h PRO 61 CO -0.13 0.30 0.03 0.35 -0.21 0.00 0.00 178.00 178.33 3gnl h PHE 62 N 0.05 0.13 -0.79 0.65 3.57 -1.03 -1.49 116.94 118.04 3gnl h PHE 62 Ca 0.01 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 3gnl h PHE 62 Cb 0.47 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 3gnl h PHE 62 CO 0.00 0.28 0.33 1.96 -2.23 0.00 0.00 178.31 178.66 3gnl h GLN 63 N -0.06 1.17 -0.16 1.11 4.20 -0.52 -1.05 115.11 119.80 3gnl h GLN 63 Ca 0.03 -0.20 -0.11 0.00 0.06 0.00 0.00 58.65 58.42 3gnl h GLN 63 Cb 0.21 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 3gnl h GLN 63 CO -0.00 0.94 -0.37 0.66 -0.67 0.00 0.00 178.83 179.38 3gnl h SER 64 N 1.14 0.36 -0.29 1.46 4.64 -1.22 -1.19 113.55 118.45 3gnl h SER 64 Ca 0.26 -0.14 -0.15 0.00 -0.47 0.00 0.00 61.79 61.29 3gnl h SER 64 Cb 0.19 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3gnl h SER 64 CO -0.02 0.71 -0.41 0.00 -0.87 0.00 0.00 176.83 176.23 3gnl h ALA 65 N 1.32 0.44 -0.76 5.18 0.00 -0.95 -1.71 119.26 122.77 3gnl h ALA 65 Ca 0.03 -0.46 0.07 0.00 0.00 0.00 0.00 54.91 54.55 3gnl h ALA 65 Cb 0.79 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 3gnl h ALA 65 CO 0.06 0.55 0.44 1.96 0.00 0.00 0.00 179.25 182.27 3gnl h GLN 66 N 0.55 0.77 -0.23 0.00 4.20 -1.00 -1.84 115.11 117.56 3gnl h GLN 66 Ca 0.03 -0.05 -0.15 0.00 0.06 0.00 0.00 58.65 58.54 3gnl h GLN 66 Cb 1.01 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 3gnl h GLN 66 CO 0.10 0.51 -0.49 0.87 -0.67 0.00 0.00 178.83 179.15 3gnl h LYS 67 N 0.80 0.61 -0.58 1.46 1.57 -1.08 -1.64 116.57 117.70 3gnl h LYS 67 Ca 0.35 -0.35 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 3gnl h LYS 67 Cb 0.23 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3gnl h LYS 67 CO -0.20 0.96 0.01 0.37 -0.57 0.00 0.00 179.45 180.02 3gnl h GLN 68 N 0.48 1.01 -0.42 3.15 5.75 -1.01 -0.62 115.11 123.46 3gnl h GLN 68 Ca 0.02 -0.32 -0.04 0.00 -0.15 0.00 0.00 58.65 58.17 3gnl h GLN 68 Cb 1.02 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.46 3gnl h GLN 68 CO 0.10 1.00 0.11 0.28 -2.65 0.00 0.00 178.83 177.66 3gnl h VAL 69 N 0.91 1.23 -0.31 2.39 2.07 -1.15 -0.99 116.25 120.39 3gnl h VAL 69 Ca 0.17 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 3gnl h VAL 69 Cb 0.53 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3gnl h VAL 69 CO 0.03 0.28 0.11 0.03 0.02 0.00 0.00 177.57 178.03 3gnl h ARG 70 N 0.54 0.48 -0.07 1.57 -0.00 -1.15 -1.90 114.38 113.84 3gnl h ARG 70 Ca 0.13 -0.09 0.02 0.00 -0.50 0.00 0.00 59.98 59.54 3gnl h ARG 70 Cb 0.31 -0.07 -0.00 0.00 0.00 0.00 0.00 29.97 30.20 3gnl h ARG 70 CO 0.00 0.50 0.06 1.03 0.00 0.00 0.00 179.97 181.57 3gnl h SER 71 N 0.35 0.00 0.52 7.04 0.87 -0.88 -1.04 113.55 120.41 3gnl h SER 71 Ca 0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3gnl h SER 71 Cb 0.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 3gnl h SER 71 CO -0.01 0.00 -0.39 -1.20 -0.53 0.00 0.00 176.83 174.70 3gnl n SER 72 N -4.14 0.50 -1.38 6.23 7.64 -0.40 -4.94 113.62 117.13 3gnl n SER 72 Ca -0.01 -0.25 -0.12 0.00 1.01 0.00 0.00 58.87 59.49 3gnl n SER 72 Cb 0.16 0.13 -0.01 0.00 -1.01 0.00 0.00 64.21 63.49 3gnl n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gnl n GLY 73 N 1.47 -0.09 0.86 0.23 0.00 -0.39 -4.93 105.19 102.33 3gnl n GLY 73 Ca 0.07 -0.38 0.08 0.00 0.00 0.00 0.00 46.02 45.79 3gnl n GLY 73 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gnl n LEU 74 N -1.74 3.74 0.28 0.99 4.77 -0.75 -4.67 117.00 119.61 3gnl n LEU 74 Ca -0.14 -2.83 0.16 0.00 -0.03 0.00 0.00 56.01 53.17 3gnl n LEU 74 Cb 0.60 -0.49 0.90 0.00 -2.33 0.00 0.00 43.42 42.10 3gnl n LEU 74 CO 0.17 0.68 1.13 0.71 -1.33 0.00 0.00 177.39 178.76 3gnl h THR 75 N 1.88 0.51 0.00 -5.08 1.35 -1.82 -1.10 112.91 108.65 3gnl h THR 75 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.84 3gnl h THR 75 Cb 1.32 0.96 -0.00 0.00 -1.73 0.00 0.00 68.15 68.69 3gnl h THR 75 CO 0.19 0.00 -0.11 -0.33 -0.25 0.00 0.00 175.52 175.01 3gnl h GLU 76 N 0.00 0.00 0.00 4.72 4.39 -1.96 -3.33 114.58 118.41 3gnl h GLU 76 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3gnl h GLU 76 Cb 0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 3gnl h GLU 76 CO -0.00 0.11 -0.57 1.04 -1.16 0.00 0.00 179.01 178.43 3gnl n GLN 77 N -3.16 3.15 -3.85 2.33 6.02 -0.51 -4.97 117.38 116.40 3gnl n GLN 77 Ca 0.02 -0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.78 3gnl n GLN 77 Cb 0.50 -1.04 -0.17 0.00 1.02 0.00 0.00 30.24 30.54 3gnl n GLN 77 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3gnl s ILE 78 N -2.10 0.47 -0.24 5.09 1.01 -0.67 -1.41 121.20 123.36 3gnl s ILE 78 Ca 0.04 0.04 -0.12 0.00 0.00 0.00 0.00 60.65 60.61 3gnl s ILE 78 Cb 0.09 -0.59 -0.05 0.00 0.01 0.00 0.00 42.46 41.92 3gnl s ILE 78 CO 0.47 0.27 0.22 -1.81 0.00 0.00 0.00 174.94 174.08 3gnl s ASP 79 N 1.77 6.16 -0.23 3.58 1.01 -0.24 -4.62 116.67 124.11 3gnl s ASP 79 Ca 0.02 0.17 -0.13 0.00 0.71 0.00 0.00 52.55 53.32 3gnl s ASP 79 Cb -0.13 -2.13 -0.04 0.00 1.01 0.00 0.00 42.92 41.63 3gnl s ASP 79 CO -0.05 0.01 0.28 -0.69 0.21 0.00 0.00 175.17 174.93 3gnl s VAL 80 N 1.27 5.27 -0.02 -1.27 1.01 -1.26 -0.24 120.40 125.16 3gnl s VAL 80 Ca 0.10 0.44 0.04 0.00 0.00 0.00 0.00 61.98 62.56 3gnl s VAL 80 Cb -0.14 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 3gnl s VAL 80 CO 0.06 0.28 -0.14 -0.13 0.00 0.00 0.00 175.10 175.17 3gnl s ARG 81 N 1.31 1.21 -0.15 2.72 0.52 -0.37 -4.96 118.95 119.24 3gnl s ARG 81 Ca 0.13 -0.50 -0.20 0.00 -0.52 0.00 0.00 55.73 54.64 3gnl s ARG 81 Cb -0.14 -1.15 -0.03 0.00 0.52 0.00 0.00 34.95 34.14 3gnl s ARG 81 CO 0.07 0.28 0.59 0.21 0.02 0.00 0.00 175.30 176.46 3gnl s LYS 82 N -0.22 4.29 0.00 3.54 2.20 -1.26 -1.24 119.74 127.05 3gnl s LYS 82 Ca 0.03 0.60 0.00 0.00 -0.36 0.00 0.00 55.97 56.24 3gnl s LYS 82 Cb -0.07 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 3gnl s LYS 82 CO -0.00 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.35 3gnl n GLY 83 N 3.51 0.80 3.63 5.54 0.00 0.55 -4.86 105.19 114.36 3gnl n GLY 83 Ca -0.03 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 3gnl n GLY 83 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3gnl s ASN 84 N 0.00 6.83 1.62 1.61 2.47 -1.26 -3.57 114.94 122.64 3gnl s ASN 84 Ca 0.00 0.88 0.00 0.00 0.42 0.00 0.00 52.86 54.16 3gnl s ASN 84 Cb 0.00 -2.51 0.00 0.00 -1.45 0.00 0.00 41.25 37.29 3gnl s ASN 84 CO 0.00 -0.84 0.00 0.61 -3.72 0.00 0.00 177.10 173.15 3gnl n GLY 85 N 4.05 3.03 0.08 1.21 0.00 -1.26 -2.08 105.19 110.21 3gnl n GLY 85 Ca 0.10 -0.25 0.06 0.00 0.00 0.00 0.00 46.02 45.93 3gnl n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gnl n LEU 86 N 0.00 0.23 0.27 0.99 4.77 -1.26 -3.74 117.00 118.25 3gnl n LEU 86 Ca 0.00 -0.10 0.18 0.00 -0.03 0.00 0.00 56.01 56.06 3gnl n LEU 86 Cb 0.00 -0.02 0.97 0.00 -2.33 0.00 0.00 43.42 42.04 3gnl n LEU 86 CO 0.00 0.05 1.04 0.00 -1.33 0.00 0.00 177.39 177.15 3gnl h ALA 87 N 3.41 1.00 -0.00 -1.18 0.00 -1.77 -1.55 119.26 119.18 3gnl h ALA 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gnl h ALA 87 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3gnl h ALA 87 CO 0.00 -0.00 -0.16 1.33 0.00 0.00 0.00 179.25 180.42 3gnl n VAL 88 N -2.74 0.00 -3.92 0.00 0.24 -1.25 -4.82 118.33 105.84 3gnl n VAL 88 Ca -0.02 -0.03 -0.36 0.00 -2.04 0.00 0.00 64.34 61.88 3gnl n VAL 88 Cb 0.06 -0.14 -0.06 0.00 -1.47 0.00 0.00 33.84 32.23 3gnl n VAL 88 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3gnl s ILE 89 N -2.72 5.40 0.11 1.34 1.01 -0.58 -5.01 121.20 120.76 3gnl s ILE 89 Ca 0.21 0.11 0.07 0.00 0.00 0.00 0.00 60.65 61.04 3gnl s ILE 89 Cb 0.19 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 3gnl s ILE 89 CO 0.53 0.56 -0.18 -0.70 0.00 0.00 0.00 174.94 175.16 3gnl s GLU 90 N -1.19 1.08 0.26 2.79 2.56 -1.26 -5.01 118.70 117.94 3gnl s GLU 90 Ca 0.17 -1.19 -0.01 0.00 0.00 0.00 0.00 54.97 53.94 3gnl s GLU 90 Cb -0.12 -1.18 0.56 0.00 2.00 0.00 0.00 34.13 35.39 3gnl s GLU 90 CO 0.07 0.26 1.72 1.57 -0.56 0.00 0.00 175.26 178.32 3gnl h LYS 91 N 3.83 0.45 0.00 4.30 -0.00 -1.96 -0.76 116.57 122.44 3gnl h LYS 91 Ca -0.43 -0.03 0.00 0.00 -0.00 0.00 0.00 60.65 60.19 3gnl h LYS 91 Cb 1.19 -0.10 0.00 0.00 -0.00 0.00 0.00 32.23 33.32 3gnl h LYS 91 CO 0.44 0.30 0.00 0.36 -0.00 0.00 0.00 179.45 180.55 3gnl n LYS 92 N -4.99 0.17 0.27 0.07 2.85 -1.26 -2.11 118.16 113.17 3gnl n LYS 92 Ca 0.17 0.47 0.17 0.00 -1.05 0.00 0.00 58.31 58.08 3gnl n LYS 92 Cb 0.50 -1.87 0.73 0.00 -0.65 0.00 0.00 35.03 33.74 3gnl n LYS 92 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3gnl h ASP 93 N 0.00 0.00 -6.35 -5.58 3.32 -1.55 -3.47 116.42 102.80 3gnl h ASP 93 Ca 0.00 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 3gnl h ASP 93 Cb 0.26 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.82 3gnl h ASP 93 CO 0.00 0.00 -0.89 0.00 -1.72 0.00 0.00 179.24 176.63 3gnl n ALA 94 N -2.06 -2.17 -2.37 3.45 0.00 -0.89 -4.91 120.51 111.56 3gnl n ALA 94 Ca 0.00 -0.25 -0.42 0.00 0.00 0.00 0.00 53.44 52.78 3gnl n ALA 94 Cb 0.27 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.36 3gnl n ALA 94 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gnl s ILE 95 N -3.77 4.23 -0.14 0.00 -1.09 -1.26 -4.75 121.20 114.41 3gnl s ILE 95 Ca 0.14 1.70 -0.01 0.00 -2.23 0.00 0.00 60.65 60.25 3gnl s ILE 95 Cb -0.05 -4.09 -0.24 0.00 -1.58 0.00 0.00 42.46 36.50 3gnl s ILE 95 CO 0.87 0.19 0.26 0.47 -1.23 0.00 0.00 174.94 175.50 3gnl n ASP 96 N 3.36 1.83 -3.98 3.58 8.00 0.12 -3.87 116.55 125.58 3gnl n ASP 96 Ca 0.06 0.15 -0.20 0.00 0.71 0.00 0.00 54.79 55.50 3gnl n ASP 96 Cb 0.48 -0.57 -0.16 0.00 -0.02 0.00 0.00 41.12 40.85 3gnl n ASP 96 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3gnl s THR 97 N -2.55 0.76 -0.11 -3.53 2.01 -0.87 -0.45 115.64 110.90 3gnl s THR 97 Ca -0.22 -0.32 0.03 0.00 0.31 0.00 0.00 61.69 61.48 3gnl s THR 97 Cb 0.07 -0.69 -0.01 0.00 0.01 0.00 0.00 72.50 71.88 3gnl s THR 97 CO 0.74 0.25 -0.20 -0.63 -0.69 0.00 0.00 174.62 174.09 3gnl s ILE 98 N 0.36 2.47 -0.18 1.82 1.01 -0.42 -1.03 121.20 125.24 3gnl s ILE 98 Ca -0.06 -0.88 -0.06 0.00 0.00 0.00 0.00 60.65 59.66 3gnl s ILE 98 Cb -0.10 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.35 3gnl s ILE 98 CO 0.01 0.55 0.03 -0.69 0.00 0.00 0.00 174.94 174.83 3gnl s VAL 99 N 0.27 4.42 -0.21 2.92 1.01 0.59 -0.70 120.40 128.69 3gnl s VAL 99 Ca -0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 3gnl s VAL 99 Cb -0.17 -2.98 0.07 0.00 0.00 0.00 0.00 36.38 33.30 3gnl s VAL 99 CO 0.07 0.46 0.04 -0.63 0.00 0.00 0.00 175.10 175.04 3gnl s ILE 100 N 0.49 0.64 0.14 2.22 1.01 -0.40 -1.11 121.20 124.19 3gnl s ILE 100 Ca 0.01 -0.72 0.06 0.00 0.00 0.00 0.00 60.65 60.00 3gnl s ILE 100 Cb -0.13 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 3gnl s ILE 100 CO 0.02 -0.27 -0.14 0.00 0.00 0.00 0.00 174.94 174.55 3gnl s ALA 101 N 1.80 1.64 -0.37 9.38 0.00 -1.26 -0.72 121.76 132.22 3gnl s ALA 101 Ca 0.00 -1.41 -0.02 0.00 0.00 0.00 0.00 51.96 50.53 3gnl s ALA 101 Cb -0.17 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 3gnl s ALA 101 CO -0.11 0.08 0.32 0.41 0.00 0.00 0.00 175.76 176.47 3gnl n GLY 102 N 0.24 0.19 3.89 0.00 0.00 -0.76 -4.94 105.19 103.81 3gnl n GLY 102 Ca -0.13 0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 3gnl n GLY 102 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gnl s GLY 104 N -3.14 2.18 0.28 -0.02 0.00 -1.26 -4.92 107.32 100.44 3gnl s GLY 104 Ca 0.16 -0.43 0.01 0.00 0.00 0.00 0.00 44.72 44.46 3gnl s GLY 104 CO 0.26 -0.32 1.81 -1.33 0.00 0.00 0.00 173.10 173.52 3gnl h GLY 105 N 2.46 1.58 0.97 0.20 0.00 -0.98 -1.15 103.07 106.16 3gnl h GLY 105 Ca -0.47 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 46.44 3gnl h GLY 105 CO 0.70 0.10 0.15 -0.84 0.00 0.00 0.00 176.54 176.64 3gnl h THR 106 N 0.89 1.23 -0.46 4.70 2.02 -1.80 -0.76 112.91 118.73 3gnl h THR 106 Ca 0.49 -0.79 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 3gnl h THR 106 Cb 0.55 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 3gnl h THR 106 CO -0.29 0.29 0.16 0.25 0.37 0.00 0.00 175.52 176.30 3gnl h LEU 107 N 0.68 0.65 -0.57 2.58 5.85 -1.78 -0.06 115.31 122.67 3gnl h LEU 107 Ca 0.16 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3gnl h LEU 107 Cb 0.29 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3gnl h LEU 107 CO -0.00 0.66 0.28 0.40 -0.34 0.00 0.00 178.44 179.44 3gnl h ILE 108 N 0.60 1.20 -0.32 4.05 2.04 -1.16 -0.28 117.51 123.64 3gnl h ILE 108 Ca 0.15 -0.55 0.02 0.00 1.00 0.00 0.00 64.86 65.48 3gnl h ILE 108 Cb 0.23 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 3gnl h ILE 108 CO -0.01 0.22 0.17 -0.09 0.00 0.00 0.00 178.15 178.45 3gnl h ARG 109 N 0.76 0.34 -0.68 2.37 2.43 -0.76 -0.89 114.38 117.95 3gnl h ARG 109 Ca 0.20 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.38 3gnl h ARG 109 Cb 0.10 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 3gnl h ARG 109 CO -0.03 0.23 0.42 1.15 -1.51 0.00 0.00 179.97 180.23 3gnl h THR 110 N 0.35 1.07 -0.45 0.20 2.02 -0.68 0.18 112.91 115.61 3gnl h THR 110 Ca 0.13 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 67.04 3gnl h THR 110 Cb 0.03 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.60 3gnl h THR 110 CO -0.08 0.15 0.28 0.40 0.37 0.00 0.00 175.52 176.64 3gnl h ILE 111 N 0.81 1.08 -0.66 3.11 2.04 -0.56 0.14 117.51 123.48 3gnl h ILE 111 Ca 0.28 -0.19 -0.08 0.00 1.00 0.00 0.00 64.86 65.86 3gnl h ILE 111 Cb 0.05 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 3gnl h ILE 111 CO -0.12 0.10 0.10 -0.07 0.00 0.00 0.00 178.15 178.16 3gnl h LEU 112 N 0.57 1.05 0.09 1.44 3.38 -0.55 -1.02 115.31 120.27 3gnl h LEU 112 Ca 0.17 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3gnl h LEU 112 Cb -0.03 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.44 3gnl h LEU 112 CO -0.06 1.04 -0.04 -0.33 0.09 0.00 0.00 178.44 179.14 3gnl h GLU 113 N 1.02 -0.12 -0.22 1.13 5.08 -0.64 -2.49 114.58 118.34 3gnl h GLU 113 Ca 0.20 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 3gnl h GLU 113 Cb 0.45 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3gnl h GLU 113 CO 0.01 0.40 0.07 0.93 -1.00 0.00 0.00 179.01 179.42 3gnl h GLU 114 N -0.78 0.30 -0.73 2.33 5.08 -0.81 -2.50 114.58 117.47 3gnl h GLU 114 Ca -0.01 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.17 3gnl h GLU 114 Cb 0.58 -0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.68 3gnl h GLU 114 CO 0.02 0.28 0.18 0.41 -1.00 0.00 0.00 179.01 178.90 3gnl n GLY 115 N -1.28 3.29 0.38 -3.84 0.00 -0.39 -4.67 105.19 98.68 3gnl n GLY 115 Ca 0.00 -0.89 0.14 0.00 0.00 0.00 0.00 46.02 45.27 3gnl n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gnl h ALA 116 N 3.01 1.90 -0.51 4.61 0.00 -0.96 -0.10 119.26 127.19 3gnl h ALA 116 Ca 0.18 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3gnl h ALA 116 Cb 2.12 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.78 3gnl h ALA 116 CO 0.62 -0.16 0.32 0.00 0.00 0.00 0.00 179.25 180.03 3gnl h ALA 117 N 1.61 1.60 0.00 0.00 0.00 -1.86 -2.00 119.26 118.60 3gnl h ALA 117 Ca 0.47 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3gnl h ALA 117 Cb 0.84 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3gnl h ALA 117 CO -0.22 0.36 0.00 1.63 0.00 0.00 0.00 179.25 181.02 3gnl n LYS 118 N -4.44 0.28 0.00 0.00 4.76 -0.05 -2.24 118.16 116.47 3gnl n LYS 118 Ca 0.05 0.08 0.15 0.00 -2.87 0.00 0.00 58.31 55.71 3gnl n LYS 118 Cb 0.07 -1.50 0.70 0.00 -1.84 0.00 0.00 35.03 32.46 3gnl n LYS 118 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3gnl n LEU 119 N -1.31 0.05 -4.68 -0.35 4.77 -0.75 -4.78 117.00 109.94 3gnl n LEU 119 Ca 0.10 0.31 -0.51 0.00 -0.03 0.00 0.00 56.01 55.88 3gnl n LEU 119 Cb 0.18 -0.33 -0.06 0.00 -2.33 0.00 0.00 43.42 40.89 3gnl n LEU 119 CO 0.17 0.01 1.37 0.00 -1.33 0.00 0.00 177.39 177.62 3gnl n ALA 120 N -1.32 0.46 0.00 -1.18 0.00 -0.95 -1.72 120.51 115.79 3gnl n ALA 120 Ca 0.12 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3gnl n ALA 120 Cb 0.27 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.35 3gnl n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gnl n GLY 121 N 4.13 2.97 3.73 0.00 0.00 -1.26 -4.90 105.19 109.86 3gnl n GLY 121 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 3gnl n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gnl s VAL 122 N -2.64 3.45 -0.59 1.61 1.01 -0.70 -4.76 120.40 117.78 3gnl s VAL 122 Ca 0.00 1.18 0.05 0.00 0.00 0.00 0.00 61.98 63.22 3gnl s VAL 122 Cb 0.00 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.65 3gnl s VAL 122 CO 0.00 0.17 0.56 0.35 0.00 0.00 0.00 175.10 176.19 3gnl n THR 123 N 2.72 0.00 -3.70 3.92 -2.24 0.40 -4.75 114.28 110.63 3gnl n THR 123 Ca 0.06 -0.47 -0.11 0.00 -2.27 0.00 0.00 64.05 61.26 3gnl n THR 123 Cb 0.44 1.09 -0.10 0.00 -2.10 0.00 0.00 70.33 69.65 3gnl n THR 123 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3gnl s LYS 124 N -0.71 0.44 -0.05 -0.78 2.20 -0.83 -4.40 119.74 115.61 3gnl s LYS 124 Ca 0.05 0.76 0.06 0.00 -0.36 0.00 0.00 55.97 56.48 3gnl s LYS 124 Cb 0.04 0.06 -0.01 0.00 -1.51 0.00 0.00 37.83 36.41 3gnl s LYS 124 CO 0.10 -0.13 -0.23 -0.51 -0.36 0.00 0.00 175.35 174.22 3gnl s LEU 125 N 1.09 2.21 -0.26 5.43 1.43 -0.50 -1.30 118.68 126.79 3gnl s LEU 125 Ca -0.07 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.61 3gnl s LEU 125 Cb -0.07 -1.41 0.06 0.00 0.03 0.00 0.00 46.19 44.80 3gnl s LEU 125 CO -0.10 0.27 -0.11 -0.63 0.23 0.00 0.00 176.35 176.01 3gnl s ILE 126 N -0.29 2.13 -0.03 -0.59 1.01 0.12 -0.42 121.20 123.12 3gnl s ILE 126 Ca 0.01 -1.60 0.07 0.00 0.00 0.00 0.00 60.65 59.13 3gnl s ILE 126 Cb -0.13 -2.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 3gnl s ILE 126 CO 0.02 -0.02 -0.25 -0.76 0.00 0.00 0.00 174.94 173.93 3gnl s LEU 127 N 1.12 2.11 -0.41 2.97 1.43 -1.26 -1.27 118.68 123.37 3gnl s LEU 127 Ca -0.09 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.57 3gnl s LEU 127 Cb -0.20 -1.36 0.14 0.00 0.03 0.00 0.00 46.19 44.80 3gnl s LEU 127 CO -0.05 0.31 0.24 -1.58 0.23 0.00 0.00 176.35 175.49 3gnl s GLN 128 N -0.53 1.04 0.17 1.70 -0.44 0.10 -4.40 119.66 117.31 3gnl s GLN 128 Ca 0.07 -1.80 -0.24 0.00 -2.50 0.00 0.00 55.36 50.90 3gnl s GLN 128 Cb -0.11 -1.98 -0.08 0.00 -1.64 0.00 0.00 33.01 29.21 3gnl s GLN 128 CO 0.00 -1.19 0.75 -1.25 0.50 0.00 0.00 175.29 174.11 3gnl s PRO 129 N 0.56 4.47 0.00 1.67 0.04 -1.25 -1.83 135.00 138.66 3gnl s PRO 129 Ca 0.18 1.07 0.26 0.00 0.04 0.00 0.00 61.00 62.55 3gnl s PRO 129 Cb -0.23 -3.17 0.62 0.00 0.04 0.00 0.00 34.50 31.77 3gnl s PRO 129 CO -0.00 0.53 1.48 0.27 0.04 0.00 0.00 177.00 179.32 3gnl n ASN 130 N 1.40 1.39 -3.50 6.66 0.23 -1.26 -4.42 115.26 115.76 3gnl n ASN 130 Ca -0.05 -1.16 -0.15 0.00 -0.53 0.00 0.00 54.58 52.69 3gnl n ASN 130 Cb 0.49 0.18 -0.04 0.00 -2.08 0.00 0.00 39.78 38.33 3gnl n ASN 130 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 3gnl s ILE 131 N -2.40 0.01 -1.37 1.53 2.07 -1.26 -4.97 121.20 114.81 3gnl s ILE 131 Ca 0.25 -0.05 -0.02 0.00 -1.41 0.00 0.00 60.65 59.43 3gnl s ILE 131 Cb 0.19 -0.99 0.01 0.00 0.13 0.00 0.00 42.46 41.80 3gnl s ILE 131 CO 0.49 -0.03 0.61 0.00 -1.91 0.00 0.00 174.94 174.10 3gnl n ALA 132 N 0.34 -1.94 -0.26 1.50 0.00 -1.26 -0.48 120.51 118.42 3gnl n ALA 132 Ca -0.18 -0.18 0.09 0.00 0.00 0.00 0.00 53.44 53.17 3gnl n ALA 132 Cb 0.61 -1.97 0.34 0.00 0.00 0.00 0.00 19.45 18.43 3gnl n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gnl h ALA 133 N 0.86 1.74 -0.59 0.00 0.00 -1.94 -1.64 119.26 117.69 3gnl h ALA 133 Ca -0.62 0.00 0.17 0.00 0.00 0.00 0.00 54.91 54.47 3gnl h ALA 133 Cb 1.37 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3gnl h ALA 133 CO 0.60 0.06 0.44 0.11 0.00 0.00 0.00 179.25 180.46 3gnl h TRP 134 N 0.77 0.00 -0.76 0.00 5.08 -1.85 0.28 115.95 119.47 3gnl h TRP 134 Ca 0.41 0.00 0.01 0.00 1.08 0.00 0.00 58.89 60.39 3gnl h TRP 134 Cb 0.53 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.66 3gnl h TRP 134 CO -0.00 0.00 0.50 1.96 -1.28 0.00 0.00 178.44 179.62 3gnl h GLN 135 N 0.00 1.00 0.00 0.12 1.08 -1.62 -0.28 115.11 115.41 3gnl h GLN 135 Ca 0.28 -0.06 -0.16 0.00 -1.45 0.00 0.00 58.65 57.26 3gnl h GLN 135 Cb 1.16 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 28.34 3gnl h GLN 135 CO -0.00 0.67 -0.75 -0.07 -0.95 0.00 0.00 178.83 177.73 3gnl h LEU 136 N 1.03 0.00 -0.64 1.46 3.38 -1.09 -1.50 115.31 117.94 3gnl h LEU 136 Ca 0.28 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.10 3gnl h LEU 136 Cb -0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3gnl h LEU 136 CO -0.06 0.75 -0.60 0.03 0.09 0.00 0.00 178.44 178.65 3gnl h ARG 137 N 0.00 0.27 -0.30 1.13 3.08 -1.17 -0.22 114.38 117.15 3gnl h ARG 137 Ca -0.01 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.82 3gnl h ARG 137 Cb 1.50 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.57 3gnl h ARG 137 CO 0.10 0.78 0.02 1.49 -1.07 0.00 0.00 179.97 181.29 3gnl h GLU 138 N 0.20 0.53 -0.77 0.04 4.81 -0.99 -2.31 114.58 116.09 3gnl h GLU 138 Ca -0.00 -0.16 0.07 0.00 -0.13 0.00 0.00 59.36 59.14 3gnl h GLU 138 Cb 1.10 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.37 3gnl h GLU 138 CO 0.09 0.66 0.45 2.35 -0.73 0.00 0.00 179.01 181.83 3gnl h TRP 139 N 0.33 0.82 -0.72 0.92 7.01 -1.08 -0.32 115.95 122.91 3gnl h TRP 139 Ca 0.09 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.15 3gnl h TRP 139 Cb 0.41 -0.25 -0.05 0.00 -2.10 0.00 0.00 29.16 27.17 3gnl h TRP 139 CO 0.03 0.37 0.45 1.03 -2.79 0.00 0.00 178.44 177.54 3gnl h SER 140 N 0.79 0.75 -0.14 2.65 0.87 -0.71 -0.01 113.55 117.75 3gnl h SER 140 Ca 0.36 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.89 3gnl h SER 140 Cb 0.25 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 3gnl h SER 140 CO -0.21 0.51 0.00 -0.08 -0.53 0.00 0.00 176.83 176.53 3gnl h GLU 141 N 0.89 0.25 -0.01 2.24 4.81 -0.82 -0.70 114.58 121.23 3gnl h GLU 141 Ca 0.29 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 3gnl h GLU 141 Cb 0.02 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 3gnl h GLU 141 CO -0.11 0.48 -0.13 1.96 -0.73 0.00 0.00 179.01 180.47 3gnl h GLN 142 N -0.01 0.02 -0.36 1.92 4.20 -0.67 -3.05 115.11 117.17 3gnl h GLN 142 Ca 0.04 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3gnl h GLN 142 Cb 0.37 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 3gnl h GLN 142 CO 0.01 0.16 0.00 0.09 -0.67 0.00 0.00 178.83 178.41 3gnl n ASN 143 N -4.37 2.98 -3.74 1.46 3.02 -0.05 -5.00 115.26 109.55 3gnl n ASN 143 Ca -0.02 -2.02 -0.23 0.00 -0.03 0.00 0.00 54.58 52.28 3gnl n ASN 143 Cb 0.21 -0.25 0.02 0.00 -0.61 0.00 0.00 39.78 39.16 3gnl n ASN 143 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3gnl n ASN 144 N 0.54 -1.70 -4.52 6.41 3.02 -0.40 -4.88 115.26 113.73 3gnl n ASN 144 Ca 0.12 -0.89 -0.36 0.00 -0.03 0.00 0.00 54.58 53.42 3gnl n ASN 144 Cb 0.44 -3.76 -0.12 0.00 -0.61 0.00 0.00 39.78 35.74 3gnl n ASN 144 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 3gnl s TRP 145 N -3.71 3.14 0.25 3.10 0.52 -0.44 -1.03 118.94 120.78 3gnl s TRP 145 Ca 0.08 -0.21 -0.30 0.00 0.02 0.00 0.00 56.10 55.70 3gnl s TRP 145 Cb -0.03 -2.20 -0.09 0.00 -1.15 0.00 0.00 33.47 30.00 3gnl s TRP 145 CO 0.83 -0.18 1.11 -1.17 0.02 0.00 0.00 176.95 177.57 3gnl s LEU 146 N 1.24 4.53 -0.26 2.99 2.96 0.42 -4.50 118.68 126.04 3gnl s LEU 146 Ca 0.05 2.24 -0.27 0.00 -0.22 0.00 0.00 54.13 55.93 3gnl s LEU 146 Cb -0.14 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.93 3gnl s LEU 146 CO 0.04 -0.19 0.94 -0.63 -1.32 0.00 0.00 176.35 175.19 3gnl s ILE 147 N -0.85 4.72 -0.05 6.68 1.01 -1.26 -1.05 121.20 130.40 3gnl s ILE 147 Ca 0.46 1.70 0.17 0.00 0.00 0.00 0.00 60.65 62.98 3gnl s ILE 147 Cb -0.32 -4.24 -0.25 0.00 0.01 0.00 0.00 42.46 37.66 3gnl s ILE 147 CO 0.39 -0.21 0.31 0.35 0.00 0.00 0.00 174.94 175.79 3gnl n THR 148 N 5.43 0.20 -3.71 2.92 -2.24 0.08 -4.95 114.28 112.01 3gnl n THR 148 Ca 0.09 -0.44 -0.13 0.00 -2.27 0.00 0.00 64.05 61.29 3gnl n THR 148 Cb 0.47 -0.02 -0.07 0.00 -2.10 0.00 0.00 70.33 68.61 3gnl n THR 148 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3gnl s SER 149 N -4.15 -0.26 0.07 3.42 0.01 -1.19 -5.00 113.70 106.59 3gnl s SER 149 Ca -0.07 0.09 -0.09 0.00 1.31 0.00 0.00 55.95 57.20 3gnl s SER 149 Cb 0.10 0.37 -0.00 0.00 0.21 0.00 0.00 66.02 66.70 3gnl s SER 149 CO 0.70 -0.55 0.19 -1.61 0.41 0.00 0.00 173.24 172.37 3gnl s GLU 150 N -1.81 0.78 0.03 12.44 2.02 -1.26 -0.63 118.70 130.28 3gnl s GLU 150 Ca -0.10 -0.85 -0.02 0.00 0.02 0.00 0.00 54.97 54.03 3gnl s GLU 150 Cb -0.03 0.32 -0.02 0.00 0.10 0.00 0.00 34.13 34.50 3gnl s GLU 150 CO 0.02 -0.24 0.01 0.00 0.02 0.00 0.00 175.26 175.07 3gnl s ALA 151 N -3.38 0.19 -0.03 5.21 0.00 -0.60 -4.80 121.76 118.34 3gnl s ALA 151 Ca 0.01 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.21 3gnl s ALA 151 Cb 0.03 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.38 3gnl s ALA 151 CO -0.08 -0.27 -0.05 -1.50 0.00 0.00 0.00 175.76 173.86 3gnl s ILE 152 N -2.56 0.51 0.13 0.00 2.07 -1.26 -0.79 121.20 119.30 3gnl s ILE 152 Ca -0.06 -0.16 -0.05 0.00 -1.41 0.00 0.00 60.65 58.97 3gnl s ILE 152 Cb -0.02 -0.51 -0.02 0.00 0.13 0.00 0.00 42.46 42.05 3gnl s ILE 152 CO -0.05 0.20 0.16 -1.48 -1.91 0.00 0.00 174.94 171.86 3gnl s LEU 153 N 0.59 1.46 -0.11 8.50 0.05 -0.29 -4.93 118.68 123.95 3gnl s LEU 153 Ca -0.08 -0.97 0.04 0.00 0.05 0.00 0.00 54.13 53.17 3gnl s LEU 153 Cb -0.11 0.76 0.00 0.00 -2.05 0.00 0.00 46.19 44.79 3gnl s LEU 153 CO 0.00 -0.79 -0.23 -0.60 -0.55 0.00 0.00 176.35 174.18 3gnl s ARG 154 N -3.98 3.03 -0.02 1.48 3.52 -1.26 -0.40 118.95 121.33 3gnl s ARG 154 Ca 0.17 -0.87 -0.00 0.00 -0.13 0.00 0.00 55.73 54.90 3gnl s ARG 154 Cb 0.05 -2.33 0.02 0.00 -1.56 0.00 0.00 34.95 31.13 3gnl s ARG 154 CO -0.02 0.12 0.02 -2.00 -0.81 0.00 0.00 175.30 172.62 3gnl s GLU 155 N 0.48 -0.02 -1.45 5.12 2.12 -0.36 -4.87 118.70 119.72 3gnl s GLU 155 Ca -0.16 0.13 -0.06 0.00 0.36 0.00 0.00 54.97 55.25 3gnl s GLU 155 Cb -0.17 -0.16 0.05 0.00 0.26 0.00 0.00 34.13 34.10 3gnl s GLU 155 CO 0.06 -0.11 0.70 -0.25 -0.54 0.00 0.00 175.26 175.11 3gnl n ASP 156 N 3.82 -2.14 -2.68 -1.70 8.00 -1.26 -1.68 116.55 118.91 3gnl n ASP 156 Ca -0.23 -0.89 -0.16 0.00 0.71 0.00 0.00 54.79 54.22 3gnl n ASP 156 Cb 0.53 -3.52 -0.00 0.00 -0.02 0.00 0.00 41.12 38.12 3gnl n ASP 156 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3gnl n ASN 157 N -2.92 -4.10 -4.22 -2.24 5.15 -1.26 -4.99 115.26 100.68 3gnl n ASN 157 Ca -0.16 0.03 -0.26 0.00 -0.60 0.00 0.00 54.58 53.58 3gnl n ASN 157 Cb 0.61 -3.44 -0.15 0.00 -0.53 0.00 0.00 39.78 36.27 3gnl n ASN 157 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3gnl s LYS 158 N -5.29 1.54 -0.15 1.20 1.02 -0.68 -5.13 119.74 112.26 3gnl s LYS 158 Ca 0.11 -0.77 -0.13 0.00 0.02 0.00 0.00 55.97 55.19 3gnl s LYS 158 Cb -0.06 -1.54 -0.05 0.00 -0.52 0.00 0.00 37.83 35.67 3gnl s LYS 158 CO 0.13 0.41 0.28 0.08 -0.92 0.00 0.00 175.35 175.34 3gnl s VAL 159 N -0.56 5.30 -0.02 3.17 1.01 -1.26 -1.22 120.40 126.82 3gnl s VAL 159 Ca 0.08 0.53 0.06 0.00 0.00 0.00 0.00 61.98 62.65 3gnl s VAL 159 Cb -0.08 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 3gnl s VAL 159 CO -0.00 0.42 -0.21 -0.31 0.00 0.00 0.00 175.10 175.00 3gnl s TYR 160 N 0.24 1.92 -0.01 5.22 2.02 0.47 -4.97 117.35 122.23 3gnl s TYR 160 Ca 0.16 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.48 3gnl s TYR 160 Cb -0.13 -1.24 -0.03 0.00 -0.40 0.00 0.00 41.96 40.15 3gnl s TYR 160 CO 0.04 -0.06 -0.04 -1.21 -1.57 0.00 0.00 175.55 172.71 3gnl s GLU 161 N -0.40 2.69 0.38 -0.62 2.02 -1.26 -1.13 118.70 120.38 3gnl s GLU 161 Ca 0.06 -0.64 0.03 0.00 0.02 0.00 0.00 54.97 54.44 3gnl s GLU 161 Cb -0.09 -2.59 -0.01 0.00 0.10 0.00 0.00 34.13 31.54 3gnl s GLU 161 CO -0.00 0.63 0.10 -0.89 0.02 0.00 0.00 175.26 175.11 3gnl n ILE 162 N 1.64 0.00 -3.64 -1.63 5.41 0.03 -3.80 119.36 117.37 3gnl n ILE 162 Ca -0.16 -2.11 -0.07 0.00 1.00 0.00 0.00 62.75 61.41 3gnl n ILE 162 Cb 0.53 0.68 -0.07 0.00 -0.71 0.00 0.00 39.64 40.07 3gnl n ILE 162 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3gnl s VAL 164 N -2.84 0.00 0.24 1.39 1.01 0.20 -1.56 120.40 118.84 3gnl s VAL 164 Ca 0.14 0.00 0.09 0.00 0.00 0.00 0.00 61.98 62.20 3gnl s VAL 164 Cb 0.01 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 3gnl s VAL 164 CO 0.10 0.00 -0.14 -0.76 0.00 0.00 0.00 175.10 174.30 3gnl s LEU 165 N 1.36 2.56 0.01 3.92 1.02 0.44 -0.74 118.68 127.23 3gnl s LEU 165 Ca -0.08 -1.05 -0.08 0.00 0.02 0.00 0.00 54.13 52.94 3gnl s LEU 165 Cb -0.05 -0.77 0.00 0.00 0.02 0.00 0.00 46.19 45.40 3gnl s LEU 165 CO -0.16 -0.15 0.16 0.00 0.02 0.00 0.00 176.35 176.22 3gnl s ALA 166 N -2.87 -0.35 0.50 4.21 0.00 -0.21 -1.41 121.76 121.63 3gnl s ALA 166 Ca 0.25 -0.16 -0.23 0.00 0.00 0.00 0.00 51.96 51.83 3gnl s ALA 166 Cb -0.01 0.14 -0.06 0.00 0.00 0.00 0.00 23.12 23.19 3gnl s ALA 166 CO 0.10 -0.24 1.35 -2.14 0.00 0.00 0.00 175.76 174.83 3gnl s PRO 167 N -1.65 3.40 -0.08 0.00 0.02 -1.26 -0.44 135.00 134.99 3gnl s PRO 167 Ca -0.13 2.23 0.03 0.00 0.02 0.00 0.00 61.00 63.15 3gnl s PRO 167 Cb -0.06 -2.41 0.01 0.00 0.02 0.00 0.00 34.50 32.06 3gnl s PRO 167 CO 0.01 -0.98 -0.16 0.45 -0.33 0.00 0.00 177.00 175.98 3gnl s SER 168 N -0.86 2.18 0.45 2.53 0.15 -0.20 -4.69 113.70 113.26 3gnl s SER 168 Ca 0.67 -0.38 0.25 0.00 0.70 0.00 0.00 55.95 57.19 3gnl s SER 168 Cb -0.40 -1.01 0.55 0.00 -1.71 0.00 0.00 66.02 63.46 3gnl s SER 168 CO 0.49 0.07 1.69 1.05 1.20 0.00 0.00 173.24 177.74 3gnl h GLU 169 N 6.89 0.00 -6.53 5.44 4.11 -1.96 -3.45 114.58 119.08 3gnl h GLU 169 Ca -0.27 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 58.63 3gnl h GLU 169 Cb 1.20 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 3gnl h GLU 169 CO 0.47 0.00 -0.01 0.15 0.07 0.00 0.00 179.01 179.69 3gnl s LYS 170 N -3.30 3.95 0.26 1.06 1.02 -1.26 -5.02 119.74 116.45 3gnl s LYS 170 Ca 0.06 0.51 -0.30 0.00 0.02 0.00 0.00 55.97 56.26 3gnl s LYS 170 Cb 0.06 -2.65 -0.14 0.00 -0.52 0.00 0.00 37.83 34.58 3gnl s LYS 170 CO 0.64 0.30 1.18 -2.30 -0.92 0.00 0.00 175.35 174.26 3gnl n PRO 171 N 0.05 1.59 -3.55 -1.68 -0.02 -1.26 -4.92 135.00 125.21 3gnl n PRO 171 Ca 0.00 0.56 -0.37 0.00 -2.02 0.00 0.00 63.50 61.67 3gnl n PRO 171 Cb 0.52 -2.06 -0.09 0.00 -0.02 0.00 0.00 33.50 31.86 3gnl n PRO 171 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gnl s VAL 172 N -0.62 5.29 -0.16 -1.45 1.01 -1.26 -5.07 120.40 118.14 3gnl s VAL 172 Ca 0.64 0.40 -0.03 0.00 0.00 0.00 0.00 61.98 62.99 3gnl s VAL 172 Cb -0.70 -3.59 0.05 0.00 0.00 0.00 0.00 36.38 32.13 3gnl s VAL 172 CO 0.56 0.31 0.04 0.42 0.00 0.00 0.00 175.10 176.43 3gnl s THR 173 N 1.13 0.36 0.35 3.92 -4.23 -1.26 -4.69 115.64 111.23 3gnl s THR 173 Ca 0.12 -0.30 0.06 0.00 -1.18 0.00 0.00 61.69 60.40 3gnl s THR 173 Cb -0.14 -0.81 -0.01 0.00 1.34 0.00 0.00 72.50 72.89 3gnl s THR 173 CO 0.06 -0.10 0.49 0.26 -0.54 0.00 0.00 174.62 174.79 3gnl s TRP 174 N 1.94 3.10 0.63 3.99 0.23 -1.26 -5.12 118.94 122.45 3gnl s TRP 174 Ca 0.01 -0.20 -0.05 0.00 -2.03 0.00 0.00 56.10 53.83 3gnl s TRP 174 Cb -0.16 -2.05 0.04 0.00 0.03 0.00 0.00 33.47 31.33 3gnl s TRP 174 CO -0.07 -0.07 0.92 0.95 0.96 0.00 0.00 176.95 179.64 3gnl s THR 175 N -2.21 2.86 0.35 2.01 -4.23 -1.26 -4.95 115.64 108.21 3gnl s THR 175 Ca 0.46 -0.26 0.09 0.00 -1.18 0.00 0.00 61.69 60.79 3gnl s THR 175 Cb -0.10 -3.17 0.12 0.00 1.34 0.00 0.00 72.50 70.69 3gnl s THR 175 CO 0.32 -0.16 1.84 0.07 -0.54 0.00 0.00 174.62 176.14 3gnl h LYS 176 N -0.30 0.24 -0.49 3.99 2.10 -1.99 -1.28 116.57 118.83 3gnl h LYS 176 Ca -0.44 -0.07 -0.05 0.00 -2.00 0.00 0.00 60.65 58.08 3gnl h LYS 176 Cb 1.29 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 32.58 3gnl h LYS 176 CO 0.59 0.46 0.10 1.96 -2.00 0.00 0.00 179.45 180.56 3gnl h GLN 177 N 0.22 0.80 -0.76 0.07 7.50 -1.97 -1.11 115.11 119.85 3gnl h GLN 177 Ca 0.04 -0.21 -0.03 0.00 0.50 0.00 0.00 58.65 58.95 3gnl h GLN 177 Cb 0.53 -0.10 -0.03 0.00 0.05 0.00 0.00 27.48 27.93 3gnl h GLN 177 CO 0.04 0.79 0.36 0.93 -1.50 0.00 0.00 178.83 179.45 3gnl h GLU 178 N 0.68 1.10 -0.45 1.46 5.08 -1.66 0.15 114.58 120.94 3gnl h GLU 178 Ca 0.15 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3gnl h GLU 178 Cb 0.37 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3gnl h GLU 178 CO 0.01 0.86 0.21 0.82 -1.00 0.00 0.00 179.01 179.91 3gnl h ILE 179 N 1.08 1.19 -0.05 3.13 2.04 -1.06 0.30 117.51 124.14 3gnl h ILE 179 Ca 0.26 -0.55 -0.22 0.00 1.00 0.00 0.00 64.86 65.36 3gnl h ILE 179 Cb 0.13 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 3gnl h ILE 179 CO -0.03 0.21 -0.86 0.15 0.00 0.00 0.00 178.15 177.61 3gnl h PHE 180 N 0.58 0.70 0.00 1.37 3.57 -0.88 -3.38 116.94 118.91 3gnl h PHE 180 Ca 0.15 -0.35 -0.14 0.00 3.53 0.00 0.00 57.97 61.16 3gnl h PHE 180 Cb 0.14 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 3gnl h PHE 180 CO -0.01 1.15 -1.67 1.19 -2.23 0.00 0.00 178.31 176.74 3gnl n PHE 181 N -3.81 0.00 0.00 0.41 3.72 0.01 -4.72 117.46 113.07 3gnl n PHE 181 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 3gnl n PHE 181 Cb 0.79 -0.45 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 3gnl n PHE 181 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gnl n GLY 182 N 2.21 2.02 0.27 1.37 0.00 0.09 -4.43 105.19 106.72 3gnl n GLY 182 Ca -0.13 -1.28 -0.00 0.00 0.00 0.00 0.00 46.02 44.60 3gnl n GLY 182 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gnl h PRO 183 N 0.00 0.52 0.21 1.61 0.13 -1.86 0.34 132.00 132.94 3gnl h PRO 183 Ca 0.00 -0.11 -0.31 0.00 -0.87 0.00 0.00 66.00 64.71 3gnl h PRO 183 Cb 0.00 -0.08 0.04 0.00 0.13 0.00 0.00 31.00 31.09 3gnl h PRO 183 CO 0.00 0.55 -1.34 0.00 -0.23 0.00 0.00 178.00 176.98 3gnl h LEU 185 N 0.11 0.67 -0.37 0.00 3.38 -1.75 -2.04 115.31 115.32 3gnl h LEU 185 Ca -0.23 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 3gnl h LEU 185 Cb 2.04 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.61 3gnl h LEU 185 CO 0.25 0.73 -0.13 0.17 0.09 0.00 0.00 178.44 179.55 3gnl h LEU 186 N 0.67 0.00 -0.26 1.67 8.10 -1.04 -1.10 115.31 123.37 3gnl h LEU 186 Ca 0.14 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 58.00 3gnl h LEU 186 Cb 0.38 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.60 3gnl h LEU 186 CO 0.01 0.13 -0.36 0.11 -4.11 0.00 0.00 178.44 174.22 3gnl h LYS 187 N 0.00 0.70 -0.39 0.17 1.57 -1.50 -3.33 116.57 113.78 3gnl h LYS 187 Ca -0.00 -0.41 -0.10 0.00 -1.87 0.00 0.00 60.65 58.27 3gnl h LYS 187 Cb 0.97 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 3gnl h LYS 187 CO 0.02 1.03 -0.14 1.49 -0.57 0.00 0.00 179.45 181.28 3gnl h GLU 188 N 0.42 0.79 -6.50 3.15 4.81 -1.21 -3.48 114.58 112.55 3gnl h GLU 188 Ca 0.03 -0.32 -0.50 0.00 -0.13 0.00 0.00 59.36 58.44 3gnl h GLU 188 Cb 0.95 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.26 3gnl h GLU 188 CO 0.08 0.94 -0.91 1.04 -0.73 0.00 0.00 179.01 179.43 3gnl n GLN 189 N -4.30 -2.57 -0.96 1.92 1.13 -0.43 -4.94 117.38 107.23 3gnl n GLN 189 Ca -0.01 0.38 -0.29 0.00 -1.94 0.00 0.00 57.00 55.13 3gnl n GLN 189 Cb 0.39 -4.27 0.18 0.00 0.11 0.00 0.00 30.24 26.65 3gnl n GLN 189 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3gnl s SER 190 N -4.15 2.58 0.33 1.08 1.04 -1.26 -4.75 113.70 108.57 3gnl s SER 190 Ca 0.12 1.53 0.03 0.00 0.48 0.00 0.00 55.95 58.11 3gnl s SER 190 Cb -0.05 -2.20 0.58 0.00 0.10 0.00 0.00 66.02 64.45 3gnl s SER 190 CO 0.89 -3.20 1.88 0.00 0.98 0.00 0.00 173.24 173.79 3gnl h ALA 191 N -1.94 1.36 -0.35 5.32 0.00 -1.99 -1.02 119.26 120.64 3gnl h ALA 191 Ca -0.53 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.10 3gnl h ALA 191 Cb 1.30 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3gnl h ALA 191 CO 0.52 0.45 -0.13 0.82 0.00 0.00 0.00 179.25 180.91 3gnl h ILE 192 N 0.57 1.28 -0.08 0.00 2.04 -1.93 -1.10 117.51 118.30 3gnl h ILE 192 Ca 0.13 -1.22 0.03 0.00 1.00 0.00 0.00 64.86 64.80 3gnl h ILE 192 Cb 0.30 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 3gnl h ILE 192 CO 0.00 0.40 -0.15 0.15 0.00 0.00 0.00 178.15 178.55 3gnl h PHE 193 N 0.48 -0.39 -0.64 1.37 3.57 -1.80 0.07 116.94 119.62 3gnl h PHE 193 Ca 0.08 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 3gnl h PHE 193 Cb 0.65 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 3gnl h PHE 193 CO 0.06 -0.22 0.10 0.87 -2.23 0.00 0.00 178.31 176.89 3gnl h LYS 194 N -0.21 1.05 -0.41 1.11 1.57 -1.13 -2.27 116.57 116.28 3gnl h LYS 194 Ca 0.08 -0.28 -0.14 0.00 -1.87 0.00 0.00 60.65 58.43 3gnl h LYS 194 Cb 0.32 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3gnl h LYS 194 CO -0.20 0.98 -0.29 0.66 -0.57 0.00 0.00 179.45 180.03 3gnl h SER 195 N 0.97 0.96 -0.02 0.86 4.64 -1.02 -1.68 113.55 118.27 3gnl h SER 195 Ca 0.19 -0.43 0.03 0.00 -0.47 0.00 0.00 61.79 61.11 3gnl h SER 195 Cb 0.44 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 62.22 3gnl h SER 195 CO 0.01 1.19 -0.23 0.50 -0.87 0.00 0.00 176.83 177.43 3gnl h LYS 196 N 0.74 -0.34 -0.01 4.77 1.63 -0.84 -1.23 116.57 121.30 3gnl h LYS 196 Ca 0.08 0.02 -0.19 0.00 -0.85 0.00 0.00 60.65 59.72 3gnl h LYS 196 Cb 0.87 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.56 3gnl h LYS 196 CO 0.08 -0.23 -0.84 -1.49 -3.45 0.00 0.00 179.45 173.52 3gnl h TRP 197 N -0.35 0.26 -0.48 1.91 4.06 -1.37 -1.77 115.95 118.21 3gnl h TRP 197 Ca 0.07 -0.14 0.02 0.00 2.06 0.00 0.00 58.89 60.89 3gnl h TRP 197 Cb 0.44 -0.03 -0.03 0.00 -1.00 0.00 0.00 29.16 28.54 3gnl h TRP 197 CO -0.28 0.93 0.29 0.00 -3.56 0.00 0.00 178.44 175.82 3gnl h ARG 198 N 0.10 0.56 -0.16 0.49 3.08 -1.26 -1.43 114.38 115.77 3gnl h ARG 198 Ca -0.04 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 59.99 3gnl h ARG 198 Cb 1.45 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.36 3gnl h ARG 198 CO 0.13 0.37 0.07 1.25 -1.07 0.00 0.00 179.97 180.71 3gnl h HIS 199 N 0.58 0.12 -0.53 3.04 2.76 -0.97 -0.74 115.15 119.41 3gnl h HIS 199 Ca 0.19 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.30 3gnl h HIS 199 Cb -0.00 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 3gnl h HIS 199 CO -0.06 0.07 0.10 0.93 -1.30 0.00 0.00 177.93 177.66 3gnl h GLU 200 N 0.15 0.87 -0.44 5.26 4.39 -1.19 -2.27 114.58 121.35 3gnl h GLU 200 Ca 0.06 -0.23 -0.04 0.00 0.34 0.00 0.00 59.36 59.49 3gnl h GLU 200 Cb 0.02 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 3gnl h GLU 200 CO -0.05 0.85 0.09 0.00 -1.16 0.00 0.00 179.01 178.73 3gnl h ALA 201 N 0.99 1.33 -0.48 3.43 0.00 -1.07 -0.83 119.26 122.62 3gnl h ALA 201 Ca 0.16 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3gnl h ALA 201 Cb 0.39 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3gnl h ALA 201 CO 0.01 0.47 0.01 -0.91 0.00 0.00 0.00 179.25 178.83 3gnl h ASN 202 N 0.65 0.82 -0.45 0.00 2.35 -0.85 -1.12 115.58 116.99 3gnl h ASN 202 Ca 0.15 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 3gnl h ASN 202 Cb 0.27 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 3gnl h ASN 202 CO 0.00 0.92 0.29 0.74 -1.65 0.00 0.00 177.43 177.73 3gnl h THR 203 N 0.70 1.12 -0.90 2.81 2.02 -0.92 -0.95 112.91 116.80 3gnl h THR 203 Ca 0.14 -0.25 0.02 0.00 0.77 0.00 0.00 66.41 67.08 3gnl h THR 203 Cb 0.49 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 67.35 3gnl h THR 203 CO 0.02 0.12 0.59 -0.50 0.37 0.00 0.00 175.52 176.13 3gnl h TRP 204 N 0.60 1.12 -0.69 3.16 6.55 -0.89 -0.32 115.95 125.48 3gnl h TRP 204 Ca 0.16 0.03 -0.07 0.00 0.95 0.00 0.00 58.89 59.96 3gnl h TRP 204 Cb -0.05 -0.38 -0.03 0.00 -0.86 0.00 0.00 29.16 27.85 3gnl h TRP 204 CO -0.04 0.69 0.16 1.96 -1.05 0.00 0.00 178.44 180.16 3gnl h GLN 205 N 1.19 1.10 -0.57 0.49 4.20 -1.01 -1.31 115.11 119.20 3gnl h GLN 205 Ca 0.34 -0.27 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 3gnl h GLN 205 Cb -0.10 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.51 3gnl h GLN 205 CO -0.08 0.98 0.12 -0.91 -0.67 0.00 0.00 178.83 178.26 3gnl h ASN 206 N 1.03 0.84 -0.33 1.46 2.35 -0.49 -2.24 115.58 118.21 3gnl h ASN 206 Ca 0.22 -0.17 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 3gnl h ASN 206 Cb 0.37 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 3gnl h ASN 206 CO 0.00 0.83 0.03 0.40 -1.65 0.00 0.00 177.43 177.05 3gnl h ILE 207 N 0.86 1.25 -0.61 2.81 2.04 -0.55 -1.32 117.51 121.98 3gnl h ILE 207 Ca 0.18 -0.88 0.09 0.00 1.00 0.00 0.00 64.86 65.25 3gnl h ILE 207 Cb 0.34 1.17 -0.07 0.00 -0.74 0.00 0.00 36.82 37.52 3gnl h ILE 207 CO 0.00 0.29 0.24 0.40 0.00 0.00 0.00 178.15 179.08 3gnl h ILE 208 N 0.38 0.78 -0.55 -0.67 2.04 -0.95 -1.00 117.51 117.55 3gnl h ILE 208 Ca 0.10 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 3gnl h ILE 208 Cb 0.39 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 3gnl h ILE 208 CO 0.01 0.08 0.28 -0.61 0.00 0.00 0.00 178.15 177.91 3gnl h GLN 209 N 0.43 0.78 -0.66 2.37 4.15 -1.08 -0.32 115.11 120.78 3gnl h GLN 209 Ca 0.31 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.63 3gnl h GLN 209 Cb 0.37 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 3gnl h GLN 209 CO -0.30 0.62 0.42 1.15 -1.93 0.00 0.00 178.83 178.79 3gnl h THR 210 N 0.74 1.18 -0.27 2.39 2.02 -0.73 -1.56 112.91 116.67 3gnl h THR 210 Ca 0.19 -0.35 -0.16 0.00 0.77 0.00 0.00 66.41 66.86 3gnl h THR 210 Cb 0.08 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 66.73 3gnl h THR 210 CO -0.03 0.18 -0.45 0.40 0.37 0.00 0.00 175.52 175.99 3gnl h ILE 211 N 0.89 1.29 0.00 3.11 2.04 -0.90 -3.20 117.51 120.74 3gnl h ILE 211 Ca 0.24 -1.64 -0.06 0.00 1.00 0.00 0.00 64.86 64.40 3gnl h ILE 211 Cb -0.07 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 3gnl h ILE 211 CO -0.05 0.53 -0.30 0.28 0.00 0.00 0.00 178.15 178.61 3gnl h SER 212 N 0.53 0.00 -0.54 1.72 0.02 -0.70 -2.04 113.55 112.55 3gnl h SER 212 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3gnl h SER 212 Cb 1.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.59 3gnl h SER 212 CO 0.10 0.30 0.00 0.59 -1.14 0.00 0.00 176.83 176.68 3gnl n ASN 213 N -4.05 3.02 -3.11 3.07 3.02 -0.62 -4.20 115.26 112.38 3gnl n ASN 213 Ca -0.02 -2.05 -0.31 0.00 -0.03 0.00 0.00 54.58 52.17 3gnl n ASN 213 Cb 0.36 -0.38 -0.02 0.00 -0.61 0.00 0.00 39.78 39.12 3gnl n ASN 213 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3gnl n ASN 214 N 1.05 5.32 -4.77 6.41 5.03 -0.77 -5.07 115.26 122.46 3gnl n ASN 214 Ca 0.18 -3.69 -0.40 0.00 0.87 0.00 0.00 54.58 51.54 3gnl n ASN 214 Cb 0.49 -0.73 0.00 0.00 -1.02 0.00 0.00 39.78 38.52 3gnl n ASN 214 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3gnl s GLN 215 N -3.72 3.99 0.36 3.52 1.11 -1.26 -4.24 119.66 119.42 3gnl s GLN 215 Ca 0.46 2.37 -0.18 0.00 0.01 0.00 0.00 55.36 58.02 3gnl s GLN 215 Cb 0.26 -2.84 -0.10 0.00 -1.01 0.00 0.00 33.01 29.32 3gnl s GLN 215 CO -0.14 -0.55 0.83 -1.25 0.01 0.00 0.00 175.29 174.18 3gnl s PRO 216 N -2.19 4.12 -0.20 2.91 0.04 -1.26 -5.14 135.00 133.28 3gnl s PRO 216 Ca 0.56 0.88 -0.20 0.00 0.04 0.00 0.00 61.00 62.27 3gnl s PRO 216 Cb -0.43 -2.36 -0.03 0.00 0.04 0.00 0.00 34.50 31.73 3gnl s PRO 216 CO 0.56 0.09 0.60 0.08 0.04 0.00 0.00 177.00 178.37 3gnl s VAL 217 N -2.04 5.04 0.91 -0.36 1.01 -1.26 -5.06 120.40 118.65 3gnl s VAL 217 Ca 0.57 1.12 -0.10 0.00 0.00 0.00 0.00 61.98 63.56 3gnl s VAL 217 Cb -0.10 -3.91 0.14 0.00 0.00 0.00 0.00 36.38 32.51 3gnl s VAL 217 CO 0.16 0.13 1.13 -1.54 0.00 0.00 0.00 175.10 174.97 3gnl n SER 218 N 5.00 0.31 -0.18 3.32 3.41 -1.26 -4.77 113.62 119.45 3gnl n SER 218 Ca -0.02 0.43 -0.01 0.00 -0.26 0.00 0.00 58.87 59.00 3gnl n SER 218 Cb 0.50 -1.47 0.21 0.00 -0.26 0.00 0.00 64.21 63.19 3gnl n SER 218 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3gnl h THR 219 N -1.83 1.21 -0.42 6.66 2.02 -1.99 -0.61 112.91 117.94 3gnl h THR 219 Ca -0.43 -0.57 0.05 0.00 0.77 0.00 0.00 66.41 66.23 3gnl h THR 219 Cb 1.27 0.34 -0.05 0.00 -1.74 0.00 0.00 68.15 67.98 3gnl h THR 219 CO 0.41 0.24 0.16 -0.33 0.37 0.00 0.00 175.52 176.37 3gnl h GLU 220 N 0.93 0.32 0.00 6.66 3.07 -2.00 -2.36 114.58 121.20 3gnl h GLU 220 Ca 0.23 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 59.01 3gnl h GLU 220 Cb 0.07 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 3gnl h GLU 220 CO -0.03 0.21 -0.30 -0.91 -1.40 0.00 0.00 179.01 176.57 3gnl h ASN 221 N 0.33 0.00 -0.41 1.42 2.35 -1.82 -1.92 115.58 115.53 3gnl h ASN 221 Ca 0.20 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.84 3gnl h ASN 221 Cb 0.18 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3gnl h ASN 221 CO -0.20 0.30 -0.12 1.56 -1.65 0.00 0.00 177.43 177.33 3gnl h GLN 222 N 0.00 0.87 -0.42 0.81 1.08 -0.77 -1.03 115.11 115.64 3gnl h GLN 222 Ca -0.00 -0.31 -0.14 0.00 -1.45 0.00 0.00 58.65 56.75 3gnl h GLN 222 Cb 0.96 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.31 3gnl h GLN 222 CO 0.04 0.94 -0.29 0.00 -0.95 0.00 0.00 178.83 178.58 3gnl h ALA 223 N 1.08 0.69 -0.79 3.87 0.00 -1.28 -1.73 119.26 121.10 3gnl h ALA 223 Ca 0.13 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3gnl h ALA 223 Cb 0.64 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3gnl h ALA 223 CO 0.04 0.67 0.49 -0.22 0.00 0.00 0.00 179.25 180.24 3gnl h LYS 224 N 0.78 1.06 -0.16 0.00 3.64 -1.10 -0.73 116.57 120.06 3gnl h LYS 224 Ca 0.09 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3gnl h LYS 224 Cb 0.86 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 3gnl h LYS 224 CO 0.08 0.73 0.08 0.82 -2.27 0.00 0.00 179.45 178.89 3gnl h ILE 225 N 1.08 1.13 -0.57 2.00 2.04 -0.96 0.44 117.51 122.67 3gnl h ILE 225 Ca 0.29 -0.36 0.10 0.00 1.00 0.00 0.00 64.86 65.88 3gnl h ILE 225 Cb -0.07 1.08 -0.08 0.00 -0.74 0.00 0.00 36.82 37.01 3gnl h ILE 225 CO -0.06 0.12 0.15 0.03 0.00 0.00 0.00 178.15 178.39 3gnl h ARG 226 N 0.13 0.28 -0.29 2.37 3.08 -1.01 0.14 114.38 119.08 3gnl h ARG 226 Ca 0.05 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.10 3gnl h ARG 226 Cb 0.12 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3gnl h ARG 226 CO -0.01 0.19 0.18 1.49 -1.07 0.00 0.00 179.97 180.75 3gnl h GLU 227 N 0.29 0.36 -0.77 0.04 4.81 -0.74 -1.77 114.58 116.80 3gnl h GLU 227 Ca 0.29 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.46 3gnl h GLU 227 Cb 0.40 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 3gnl h GLU 227 CO -0.35 0.23 0.31 -0.07 -0.73 0.00 0.00 179.01 178.40 3gnl h LEU 228 N 0.37 1.07 -1.01 1.64 3.38 -0.43 -1.50 115.31 118.83 3gnl h LEU 228 Ca 0.11 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.96 3gnl h LEU 228 Cb -0.01 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.40 3gnl h LEU 228 CO -0.04 0.95 0.66 -0.33 0.09 0.00 0.00 178.44 179.76 3gnl h GLU 229 N 1.12 1.20 -0.31 1.13 5.08 -0.47 -0.44 114.58 121.88 3gnl h GLU 229 Ca 0.26 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 3gnl h GLU 229 Cb 0.21 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3gnl h GLU 229 CO -0.02 0.79 0.09 1.25 -1.00 0.00 0.00 179.01 180.12 3gnl h HIS 230 N 1.23 0.51 -0.56 4.33 2.76 -0.78 -0.80 115.15 121.85 3gnl h HIS 230 Ca 0.42 -0.06 -0.05 0.00 -2.20 0.00 0.00 60.37 58.48 3gnl h HIS 230 Cb 0.08 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.87 3gnl h HIS 230 CO -0.00 0.53 0.15 0.87 -1.30 0.00 0.00 177.93 178.18 3gnl h LYS 231 N 0.35 0.88 -0.60 5.26 1.57 -0.96 -0.81 116.57 122.27 3gnl h LYS 231 Ca 0.10 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3gnl h LYS 231 Cb 0.26 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 3gnl h LYS 231 CO -0.00 0.82 0.33 0.82 -0.57 0.00 0.00 179.45 180.84 3gnl h ILE 232 N 0.79 1.19 -0.78 1.86 2.04 -0.95 -2.08 117.51 119.58 3gnl h ILE 232 Ca 0.18 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 3gnl h ILE 232 Cb 0.32 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 3gnl h ILE 232 CO -0.00 0.21 0.45 0.00 0.00 0.00 0.00 178.15 178.81 3gnl h ALA 233 N 1.15 1.33 -0.52 1.87 0.00 -0.89 -0.40 119.26 121.80 3gnl h ALA 233 Ca 0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3gnl h ALA 233 Cb 0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3gnl h ALA 233 CO -0.03 0.57 0.25 -0.07 0.00 0.00 0.00 179.25 179.96 3gnl h LEU 234 N 1.08 0.68 -0.64 0.00 3.38 -0.74 -0.32 115.31 118.75 3gnl h LEU 234 Ca 0.28 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 3gnl h LEU 234 Cb -0.02 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3gnl h LEU 234 CO -0.05 0.62 0.18 0.58 0.09 0.00 0.00 178.44 179.86 3gnl h VAL 235 N 0.69 1.25 -0.59 1.22 2.07 -0.90 -1.84 116.25 118.16 3gnl h VAL 235 Ca 0.18 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 3gnl h VAL 235 Cb 0.12 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 3gnl h VAL 235 CO -0.02 0.34 0.19 -0.33 0.02 0.00 0.00 177.57 177.76 3gnl h GLU 236 N 0.93 0.88 -0.57 1.57 5.08 -0.71 -0.19 114.58 121.55 3gnl h GLU 236 Ca 0.20 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 3gnl h GLU 236 Cb 0.32 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3gnl h GLU 236 CO -0.00 0.76 -0.03 0.22 -1.00 0.00 0.00 179.01 178.95 3gnl h ASP 237 N 0.86 1.01 0.90 1.42 3.58 -0.88 -1.56 116.42 121.75 3gnl h ASP 237 Ca 0.19 -0.30 -0.23 0.00 0.42 0.00 0.00 57.03 57.12 3gnl h ASP 237 Cb 0.24 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 3gnl h ASP 237 CO -0.01 1.08 -1.08 -0.37 -2.88 0.00 0.00 179.24 175.97 3gnl h VAL 238 N 0.93 1.63 -0.00 2.25 -1.51 -0.74 -3.22 116.25 115.59 3gnl h VAL 238 Ca 0.16 -3.32 0.00 0.00 -1.23 0.00 0.00 66.70 62.31 3gnl h VAL 238 Cb 0.58 2.85 0.00 0.00 -2.13 0.00 0.00 31.29 32.59 3gnl h VAL 238 CO 0.03 0.94 -0.16 0.18 -1.23 0.00 0.00 177.57 177.34 3gnl n LEU 239 N -3.37 0.16 -4.05 4.19 4.77 -0.14 -4.93 117.00 113.63 3gnl n LEU 239 Ca -0.03 0.34 -0.34 0.00 -0.03 0.00 0.00 56.01 55.95 3gnl n LEU 239 Cb 0.96 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 3gnl n LEU 239 CO 0.48 0.04 -0.03 0.29 -1.33 0.00 0.00 177.39 176.84 3gnl n LYS 240 N -1.49 -3.09 -3.75 3.23 4.76 -0.61 -4.98 118.16 112.23 3gnl n LYS 240 Ca 0.07 0.37 -0.15 0.00 -2.87 0.00 0.00 58.31 55.72 3gnl n LYS 240 Cb 0.34 -5.09 -0.16 0.00 -1.84 0.00 0.00 35.03 28.28 3gnl n LYS 240 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3gnl s GLU 241 N -6.74 -0.02 0.00 1.97 2.02 -1.09 -5.06 118.70 109.77 3gnl s GLU 241 Ca 0.68 0.24 0.00 0.00 0.02 0.00 0.00 54.97 55.91 3gnl s GLU 241 Cb -0.37 -0.27 0.00 0.00 0.10 0.00 0.00 34.13 33.59 3gnl s GLU 241 CO 0.83 -0.19 0.00 0.41 0.02 0.00 0.00 175.26 176.34